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1.
Zusammenfassung Die Kristallstruktur des Johannits wurde anhand eines verzwillingten Kristalls von Joachimsthal, Böhmen, mit dreidimensionalen Röntgendaten bestimmt und für 2005 unabhängige Reflexe aufR=0,039 verfeinert. Johannit kristallisiert triklin, RaumgruppeP1, mita=8,903 (2),b=9,499 (2),c=6,812 (2) Å, =109,87 (1) =112,01 (1), =100,40 (1)° undV=469,9 Å3. Chemische Formel und Zellinhalt lauten Cu(UO2)2(OH)2(SO4)2·8H2O, das ist um zwei H2O-Moleküle mehr als bisher angenommen. In der Struktur sind pentagonal dipyramidale (UO2)(OH)2O3-Polyeder paarweise über eine von zwei OH-Gruppen gebildete Kante zu Doppelpolyedern und diese wiederum durch SO4-Gruppen zu (UO2)2(OH)2(SO4)2-Schichten parallel (100) verknüpft. Die Schichten sind parallel über gestreckte Cu(H2O)4O2-Oktaeder und Wassermoleküle miteinander verbunden. Folgende Bindungslängen wurden gefunden: U–O=1,78 Å (2x) und 2,34–2,39 Å (5x); Cu–O=1,97 Å (4x) und 2,40 Å (2x); =1,47 Å; O–O in Wasserstoffbrücken 2,71–2,91 Å (8x) und 3,30 Å.
The crystal structure of johannite, Cu(UO2)2(OH)2(SO4)2·8H2O
Summary The crystal structure of johannite has been determined from threedimensional X-ray data measured on a twinned crystal from Joachimsthal, Böhmen, and has been refined toR=0.039 for 2005 independent reflections. Johannite crystallizes triclinic, space groupP1, witha=8.903 (2),b=9.499 (2),c=6.812 (2) Å, =109.87(1), =112.01(1), =100.40 (1)° andV=469.9 Å3. Chemical formula and cell content are Cu(UO2)2(OH)2(SO4)2·8H2O, by two H2O molecules more than previously assumed. Pairs of pentagonal dipyramidal (UO2) (OH)2O3 polyhedra form double polyhedra by edgesharing via two OH groups. The double polyhedra are linked by the SO4 tetrahedra to form layers (UO2)2(OH)2(SO4)2 parallel zu (100). These layers are interconnected parallel toa by elongated Cu(H2O)4O2 octahedra and water molecules. Following bond lengths have been observed: U–O=1.78 Å (2x) and 2.34–2.39 Å (5x); Cu–O=1.97 Å (4x) and 2.40 Å (2x); =1.47 Å; O–O for hydrogen bonds 2.71–2.91 Å (8x) and 3.30 Å.


Mit 2 Abbildungen  相似文献   

2.
Zusammenfassung Schultenit, PbHAsO4 [a=4,859(1) Å,b=6,756(1) Å,c=5,843(1) Å, =95,40(1)°] und PbHPO4 [a=4,6838(3) Å,b=6,6451(2) Å,c=5,7817(3) Å, =97,138(4)°] sind isotyp und kristallisieren monoklin. Für beide Verbindungen war bei einer Temperatur vonT c312 K der Übergang von RaumgruppeP c nachP2/c bekannt. Der Strukturtyp von Schultenit ist durch das Vorliegen einer kurzen Wasserstoffbrückenbindung zwischen zwei in RaumgruppeP2/c über ein Symmetriezentrum ineinander überführbarer XO4-Tetraeder charakterisiert. Die O–H...O-Bindungslänge beträgt in beiden Verbindungen übereinstimmend 2,46 Å. Mit Hilfe von Röntgen-Einkristallstrukturuntersuchungen konnte gezeigt werden, daß dieser Übergang vonPc nachP2/c offensichtlich nur auf einer Ordnung des H-Atoms beruht, während alle anderen Atome auch bei Zimmertemperatur innerhalb des Fehlers eine zentrosymmetrische Atomanordnung aufweisen.
Schultenite, PbHAsO4, and PbHOP4: Syntheses and crystal structures with a discussion on their symmetry
Summary Schultenite PbHAsO4 [a=4.859(1) Å,b=6.756(1) Å,c=5,843(1) Å, =95.40(1)°] and PbHPO4 [a=4,6838(3) Å,b=6,6451(2) Å,c=5.7817(3) Å =97.138(4)°] are isotypic and crystallize monoclinic. For both compounds a transition from space groupPc toP2/c has been described atT c312 K. The structure type of schultenite is characterized, by a short hydrogen bond between two XO4 tetrahedra which are combined by a center of symmetry in space groupP2/c. The O–H...O bond length is for both these compounds 2.46 Å. Based on X-ray single crystal structure refinements it has been shown, that the transition fromPc toP2/c is obviously caused only by an ordering of the H atom; all the other atoms are also at room temperature centrosymmetrically arranged within limits of error.


Hern Prof.Dr.K.Komarek zum 60.Geburtstag gewidmet

Mit 1 Abbildung  相似文献   

3.
Coaly source rocks are sufficiently different from marine and lacustrine source rocks in their organic matter characteristics to warrant separate guidelines for their assessment using Rock-Eval pyrolysis. The rank threshold for oil generation is indicated by the increase in BI (S1/TOC) at Rank(Sr)9–10 (Tmax 420–430 °C, Ro 0.55–0.6%), and the threshold for oil expulsion is indicated by the peak in QI ([S1+S2]/TOC) at Rank(Sr)11–12.5 (Tmax 430–440 °C, Ro 0.65–0.85%). The pronounced rank-related increase in HI (S2/TOC) prior to oil expulsion renders the use of immature samples inappropriate for source rock characterisation. A more realistic indication of the petroleum generative potential and oil expulsion efficiency of coaly source rocks can be gained from samples near the onset of expulsion. Alternatively, effective HI′ values (i.e. HIs near the onset of expulsion) can be estimated by translating the measured HIs of immature samples along the maturation pathway defined by the New Zealand (or other defined) Coal Band. Coaly source rocks comprise a continuum of coaly lithologies, including coals, shaly coals and coaly mudstones. Determination of the total genetic potential of coaly source rock sequences is best made using lithology-based samples near the onset of expulsion.  相似文献   

4.
Summary Sonoraite, FeTeO3(OH)·H2O, is monoclinic,P 21/c, witha=10.984(2),b=10.268(2),c=7.917(2) Å, =108.49(2)°. For 8 formula units per cell the calculated density is 4.179(2) g/cm3; the observed value is 3.95(1) g/cm3. The Supper-Pace automated diffractometer was used to collect 1884 independent reflections which were corrected for absorption. The structure was determined by an automated symbolic addition procedure. It was refined to a residualR of 6.2% using anisotropic temperature factors for the cations and isotropic temperature factors for the oxygen atoms. Chains of octahedra about Fe extend along [101]; edge-sharing pairs of these octahedra are joined by corner sharing. The Fe–Fe distances across the shared edges are 3.05 and 3.20 Å, short enough to suggest magnetic interactions. All but one H2O are involved in the chains. The Te4+ ions have a pseudotetrahedral coordination, with three oxygen ions forming one face of the tetrahedron and the lone electron pair of Te occupying the fourth corner. The O–Te–O average bond angle is 95°. The Fe chains are tied together by Te–O bonds in all three dimensions.
Die Kristallstruktur von Sonorait, Fe3+Te4+O3(OH).H2O
Zusammenfassung Sonorait, FeTeO3(OH)·H2O, ist monoklin, P 21/c, mit den folgenden Zelldimensionen:a=10,984(2),b=10,268(2),c=7,917(2) Å, =108,49(2)°. Mit 8 Formel-Einheiten errechnet man eine Dichte von 4,179(2) g/cm3; die gemessene Dichte beträgt 3,95(1) g/cm3. Das Supper-Pace automatische Diffraktometer wurde zur Sammlung von 1884 unabhängigen Reflexen benutzt, welche für Absorption korrigiert wurden. Die Struktur wurde mit Hilfe eines vollständig automatischen Programms für symbolische Addition bestimmt. Mit anisotropen Temperaturfaktoren für die Kationen und mit isotropen Temperaturfaktoren für die Sauerstoff-Atome wurde ein Residuum von 6,2% erreicht. Ketten von Eisen-Oktaedern erstrecken sich entlang [101]; Oktaeder-Paare mit gemeinsamen Kanten sind über Eckenverknüpfung verbunden. Die Fe–Fe-Abstände über die gemeinsamen Kanten betragen 3,05 und 3,20 Å, kurz genug, um zu magnetischer Wechselwirkung führen zu können. Nur ein H2O-Molekül ist nicht Teil einer Kette. Die Te4+-Ionen befinden sich in pseudotetraedrischer Koordination; drei Sauerstoff-Ionen bilden eine Fläche des Tetraeders, die vierte Ecke wird durch das einsame Elektronenpaar von Te besetzt. Der Mittelwert des O–Te–O-Bindungswinkels beträgt 95° Die Fe-Ketten werden durch Te–O-Bindungen dreidimensional verbunden.


With 3 Figures  相似文献   

5.
Summary The crystal structure of walpurgite has been determined from three-dimensional X-ray single crystal data and has been refined toR=0.041 for 1381 independent reflections using a crystal from Schneeberg, Sachsen. Walpurgite crystallizes triclinic, space group , witha=7.135 (2),b=10.426 (4),c=5.494 (1) Å, =101 47 (2), =110.82 (2), =88.20 (2)o andV-374 A3. Cell content and chemical formula are (UO2)Bi4O4(AsO4)2·2H2O, which is one H2O less than previously known. The structure consists of complex layers Bi4O4(AsO4)2·2H2O extending parallel to (010). Each layer is built up from a network of bismuth and oxygen atoms, to both sides of which AsO4 groups and water molecules are attached. (UO2)O4 octahedra link the layers parallel tob via the AsO4 groups and thus simultaneously from UO2(AsO4)2 chains parallel toc. The two independent Bi atoms are trivalent and form pronounced one-sided BiO polyhedra: 4–5 oxygens are at distances of 2.11–2.48 Å, 4 additional oxygens are at distances of 2.63–3.35 Å.
Die Kristallstruktur des Walpurgins, (UO2)Bi4O4(AsO4)2·2H2O
Zusammenfassung Die Kristallstruktur des Walpurgins wurde anhand eines Kristalls von Schneeberg, Sachsen, mit dreidimensionalen Röntgen-Einkristalldaten bestimmt und für 1381 Reflexe aufR=0,041 verfeinert. Walpurgin kristallisiert triklin, Raumgruppe ,a=7,135 (2),b=10,426 (4),c=5,494 (1) Å, =101,47 (2), =110,82 (2), =88,20 (2)o undV=374 Å3. Zellinhalt und chemische Formel lauten (UO2)Bi4O4(AsO4)2·2H2O, das ist um ein H2O-Molekül weniger als bislang bekannt. Die Struktur enthält kompliziert gebaute Bi4O4(AsO4)2·2H2O-Schichten, die sich parallel (010) erstrecken. Jede Schicht besteht aus einem Netz von Wismut- und Sauerstoffatomen, an das zu beiden Seiten AsO4-Gruppen und H2O-Moleküle anknüpfen. (UO2)O4-Oktaeder verbinden die Schichten über die AsO4-Gruppen parallel zub und bilden so gleichzeitig (UO2)(AsO4)2-Ketten parallel zuc aus. Die zwei unabhängigen, dreiwertigen Wismutatome des Walpurgins sind von 4–5 Sauerstoffatomen in Abständen von 2,11–2,48Å einseitig koordiniert und darüber hinaus noch von vier weiteren Sauerstoffatomen in Abständen von 2,63–3,35 Å umgeben.


With 4 Figures  相似文献   

6.
Summary Based on a X-ray structure analysis it was proved that the mineral schmiederite contains both selenite and selenate groups [a = 9.922(3)Å,b = 5.712(2)Å,c = 9.396(3)Å, = 101.96(3)°, space group P21/m,Z = 2 {Pb2Cu2(OH)4(SeO3)(SeO4)},R w = 0.055 for 1131 reflections up to sin / = 0.65 Å–1]. The crystal structure is closely related to that of linarite [a = 9.701(2) Å,b = 5.650(2) Å,c= 4.690(2)Å, = 102.65(2)°, space group P21/m,Z = 2 {PbCu(OH)2(SO4)},R w = 0.034 for 1991 reflections up to sin / = 1.0 Å–1].The Pb atom in linarite and the Pb(1) atom in schmiederite have each three Pb-O bonds < 2.45 Å with trigonal pyramidal arranged ligands; the Pb(2) atom in schmiederite has only one such near O atom. The Cu atoms are approximately square planar coordinated by hydroxil groups. In addition two further O atoms complete the coordination figure to a strongly distorted octahedron. All the anion groups have the usual geometry.
Kristallstruktur und chemische Formel von Schmiederit, Pb2Cu2(OH)4(SeO3)(SeO4), mit einem Vergleich zu Linarit, PbCu(OH)2(SO4)
Zusammenfassung Basierend auf einer Röntgen-Strukturuntersuchung konnte das Vorliegen von Selenit-und Selenatgruppen im Mineral Schmiederit belegt werden [a=9,922(3) Å,b = 5,712(2) Å,c = 9,396(3) Å, = 101,96(3)°, Raumgruppe P21/m,Z=2 {Pb2Cu2(OH)4(SeO3)(SeO4)},R w = 0,055 für 1131 Reflexe bis sin /, = 0,65 Å–1]. Die Kristallstruktur weist enge Beziehungen zu jener des Linarits auf [a = 9,701(2) Å,b = 5,650(2) Å,c = 4,690(2) Å, = 102,65(2)°, Raumgruppe P21/m,Z=2 {PbCu(OH)2(SO4)},R w = 0,034 für 1991 Reflexe bis sin / = 1,0 Å–1].Das Pb-Atom im Linarit sowie das Pb(1)-Atom im Schmiederit haben jeweils drei Pb-O-Bindungen <,45 Å, wobei die Liganden trigonal pyramidal angeordnet sind; das Pb(2)-Atom im Schmiederit hat hingegen nur ein derart nahes O-Atom. Die Cu-Atome sind etwa quatratisch planar von Hydroxilgruppen koordiniert; zwei weitere O-Atome ergänzen die Koordinationsfigur zur einem stark verzerrten Oktaeder. Die Aniongruppen haben die üblichen Dimensionen.
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7.
Summary The crystal structure of scotlandite —a=4.505(2),b=5.333(2),c=6.405(6) Å, =106.24(3)o; space groupP21/m; cell content 2 {PbSO3} — was determined from singlecrystal X-ray diffractometer data. Scotlandite is isotypic with molybdomenite, PbSeO3. Lead is coordinated to nine oxygen atoms with Pb-Oav=2.75 Å, and possibly further to one sulphur atom with Pb–S=3.46 Å. The average S–O distance in the pyramidal SO3 group is 1.52 Å. The structural relationships to cerussite, PbCO3, are discussed.
Die Kristallstruktur des Scotlandits, PbSO3
Zusammenfassung Die Kristallstruktur des Scotlandits —a=4,505(2),b=5,333(2),c=6,405(6) Å, =106,24(3)o; RaumgruppeP21/m; Zellinhalt 2 {PbSO3} — wurde aus Einkristall-Röntgendiffraktometerdaten bestimmt. Scotlandit ist mit Molybdomenit, PbSeO3, isotyp. Blei wird von neun Sauerstoffatomen mit Pb–Oav=2,75 Å und möglicherweise zusätzlich von einem Schwefelatom mit Pb–S=3,46 Å koordiniert. Der durchschnittliche S–O-Abstand in der pyramidalen SO3-Gruppe mißt 1,52 Å. Die strukturellen Beziehungen zu Cerussit, PbCO3, werden diskutiert.


With 2 Figures  相似文献   

8.
Summary The crystal structure of hendricksite, a trioctahedral mica of biotite type, characterized by high Zn2+ and Mn2+ contents has been refined by least square methods. The structural formula is: (K0.89Na0.10Ba0.04)(Mg1.57Zn0.54Mn 0.40 2+ Fe 0.25 2+ Al0.07Ti0.07Cr0.01)(Si2.92Al1.08)O10 (OH)2. The space group isC2/m and the cell parameters are:a=5.340(2) Å,b=9.524(2) Å,c=10.235(3) Å, =100.07(2)o, the cell volume isV=497.98 Å3. The final unweightedR=0.072. Average cation-anion distances in polyhedra are: T–O=1.659 Å, M(1)–O=2.093 Å, M(2)–O=2.088 Å, A–Olong=3.316 Å and A–Oshort=3.004 Å; A is the alkaline cation. The rotation angle of tetrahedra is =6.7°. The analysis of electron densities, of the dimensions and distorsions of polyhedra shows that Zn2+ is exclusively in octahedral sites; there is no order between six-fold coordinated cations. A comparison between the structural features of hendricksite and those of the two main end-members of biotites, phlogopite and annite, is presented.The effect of the strong covalence of Zn–O bonds is particularly visible on the dimensions and orientations of the thermal ellipsoids of octahedral sites M(1) and M(2) which contain zinc. In all the published structures of trioctahedral micas, the ellipsoids of cationic sites are uniaxial positive, elongated parallel toc *. In hendricksite, this is observed only for the two zinc-free sites (T and A; in the octahedra M(1) and M(2), which contain zinc, the ellipsoids are approximately uniaxial negative, flattened parallel toa, which is a unique situation.Zinc which habitually favours the tetrahedral coordinations with oxygen, enters the octahedra only, i.e. the chemically anisotropic sites, in hendricksite. The strong polarizability of Zn2+ is proposed to explain this behaviour.An examination of the behaviour of Zn2+ in other compounds shows that this situation is general, zinc favours chemically anisotropic sites and specially those adjacent to OH or H2O.
Affinement de la structure cristalline de la hendricksite, mica trioctaédrique potassique riche en Zn et Mn; une contribution à la connaissance cristallochimique des minéraux zincifères
Résumé On a affiné par moindres carrés la structure de la hendricksite, mica trioctaédrique de type biotite, caractérisé par une teneur élevée en Zn2+ et Mn2+. La formule structurale de ce mica est: (K0m89Na0,10Ba0,04)(Mg1,57Zn0,54Mn 0,40 2+ Fe 0,25 2+ Al0,07Ti0,07Cr0,01)(Si2,92Al1,08)O10(OH)2. Le groupe spatial estC2/m et les paramètres de la maille:a=5,340(2) Å,b=9,254(2) Å,c=10,235(3) Å, =100,07(2)°; le volume de la maille estV=497,98 Å3. Le résidu final non-pondéré estR=0,072. Les distances cation-anion moyennes dans les polyèdres sont les suivantes: T–O=1,659 Å, M(1)–O=2,093 Å, M(2)–O=2,088 Å, A–Olong=3,316 Å et A–Ocourt=3,004 Å où A désigne le cation alcalin. L'angle de rotation tétraédrique, =6,7°, est très semblable à celui de la phlogopite. L'analyse des densités électroniques, des dimensions et distorsions des polyèdres montre que Zn2+ est exclusivement en coordinance octaédrique et qu'il n'y a pas d'ordre entre les cations hexacoordonnés. On présente une comparaison des caractères structuraux de la hendricksite avec ceux des deux principaux pôles des biotites, la phlogopite et l'annite.L'effet de la forte covalence de la liaison Zn–O est particulièrement visible sur les dimensions et orientations des ellipsoides d'agitation thermique des deux sites octaédriques, sites zincifères. Dans toutes les structures de micas trioctaédriques publiées, les ellipsoides des sites cationiques sont uniaxes positifs, allongés parallèlement àc *, ce qui s' observe effectivement dans les deux sites non-zincifères (T et A) de la hendricksite, par contre, dans les octaèdres M(1) et M(2), qui contiennent le zinc, les ellipsoides sont approximativement uniaxes négatifs, applatis parallèlement àa, ce qui est une situation unique.Le zinc, qui se fixe généralement en sites tétraédriques dans les structures de type oxyde, occupe les sites octaédriques, c'est-à-dire les sites chimiquement anisotropes dans la hendricksite. La forte polarisabilité de Zn2+ est proposée pour expliquer ce comportement.Un examen du comportement de Zn2+ dans d'autres phases montre que cette situation est tout à fait générale, le zinc privilégiant les sites chimiquement anisotropes et en particulier ceux adjacents à OH où H2O.
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9.
Exposure of the ca. 6 Ma Taitao ophiolite, Chile, located 50 km south of the Chile Triple Junction, allows detailed chemical and isotopic study of rocks that were recently extracted from the depleted mantle source of mid-ocean ridge basalts (DMM). Ultramafic and mafic rocks are examined for isotopic (Os, Sr, Nd, and O), and major and trace element compositions, including the highly siderophile elements (HSE). Taitao peridotites have compositions indicative of variable extents of partial melting and melt extraction. Low δ18O values for most whole rock samples suggest some open-system, high-temperature water–rock interaction, most likely during serpentinization, but relict olivine grains have δ18O values consistent with primary mantle values. Most of the peridotites analyzed for Nd–Sr isotopes have compositions consistent with estimates for the modern DMM, although several samples are characterized by 87Sr/86Sr and 143Nd/144Nd indicative of crustal contamination, most likely via interactions with seawater. The peridotites have initial 187Os/188Os ratios that range widely from 0.1168 to 0.1288 (γOs = −8.0 to +1.1), averaging 0.1239 (γOs = −2.4), which is comparable to the average for modern abyssal peridotites. A negative correlation between the Mg# of relict olivine grains and Os isotopic compositions of whole rock peridotites suggests that the Os isotopic compositions reflect primary mantle Re/Os fractionation produced by variable extents of partial melting at approximately 1.6 Ga. Recent re-melting at or near the spatially associated Chile Ridge further modified these rocks, and Re, and minor Pt and Pd were subsequently added back into some rocks by late-stage melt–rock or fluid–rock interactions.In contrast to the peridotites, approximately half of the mafic rocks examined have whole rock δ18O values within the range of mantle compositions, and their Nd and Sr isotopic compositions are all generally within the range of modern DMM. These rocks have initial 187Os/188Os ratios, calculated for 6 Ma, that range from 0.126 (γOs = −1) to as high as 0.561 (γOs = +342). The Os isotopic systematics of each of these rocks may reflect derivation from mixed lithologies that include the peridotites, but may also include pyroxenites with considerably more radiogenic Os than the peridotites. This observation supports the view that suprachondritic Os present in MORB derives from mixed mantle source lithologies, accounting for some of the worldwide dichotomy in 187Os/188Os between MORB and abyssal peridotites.The collective results of this study suggest that this >500 km3 block of the mantle underwent at least two stages of melting. The first stage occurred at 1.6 Ga, after which the block remained isolated and unmixed within the DMM. A final stage of melting recently occurred at or near the Chile Ridge, resulting in the production of at least some of the mafic rocks. Convective stirring of this mantle domain during a >1 Ga period was remarkably inefficient, at least with regard to Os isotopes.  相似文献   

10.
Summary The structure type of joaquinite has been derived from precession photographs (Mo radiation) of a polysynthetic twin. Space group: C 2/m; lattice constants:a=10.50Å,b=9.58Å;c=11.78Å;=109°32;cell content: Ba4Fe2RE4Ti4O4[Si4O12]4.The atomic arrangement was determined by Patterson-, Fourier-, and (F0–Fc)-syntheses. The least squares refinement (with isotropic temperature factors) led toR=0.16. The authors are of the opinion that this relativeley highR-value is due to the poor quality of the crystal.The main structural feature are double layers of [Si4O12]-rings parallel to (001) which are connected by 10-coordinated Ba and octahedrally coordinated Ti. These double layers have pseudo-symmetry C mmm, with mirror planes perpendicular toa, b, andc *. They are stacked alongc * and translated –3/8a. The orthorhombic pseudo-symmetry allows also the translation +3/8a which is responsible for both the formation of twins and the frequent stacking disorder. The described double layers are connected by 7-coordinated RE and 4-coordinated Fe.The rôles of Fe, which has an occupancy of only 1/2, and of Na and OH. which are reported in published analyses, are discussed.
Der Strukturtyp von Joaquinit
Zusammenfassung Der Strukturtyp von Joaquinit wurde aus Präzessionsaufnahmen (MoStrlg.) eines polysynthetischen Zwillings abgeleitet. Raumgruppe: C 2/m; Gitterkonstanten:a=10,50Å;b=9,58Å,c=11,78Å; =109°32, Zellinhalt: Ba4Fe2SE4Ti4O4[Si4O12]4.Die Atomanordnung wurde aus Patterson-, Fourier- und (F0–Fc)-Synthesen abgeleitet. Die Verfeinerung mit der Methode der Kleinsten Quadrate führte (mit isotropen Temperaturfaktoren) aufR=0,16. Die Autoren sind der Ansicht, daß dieser relativ hoheR-Wert von der schlechten Qualität des Kristalles herrührt.Wesentliches Strukturmotiv sind Doppelschichten von [Si4O12]-Ringen parallel (001), die durch 10-koordiniertes Ba und oktaedrisch koordiniertes Ti verknüpft werden. Diese Doppelschichten haben die Pseudosymmetrie C mmm mit Symmetrieebenen senkrechta, b undc *. Sie werden nachc * gestapelt und um –3/8a translatiert. Die rhombische Pseudosymmetrie läßt andererseits die Translation +3a zu, was für die Zwilligsbildung und die häufige Stapelungsunordnung verantwortlich ist. Diese Doppelschichten werden weiter durch 7-koordinierte SE und 4-koordinertes Fe verknüpft.Die Rollen des Fe, welches eine Punktlage nur zur Hälfte besetzt, und des Na und OH, welche in publizierten Analysen angegeben werden, werden diskutiert.


Mit 10 Abbildungen  相似文献   

11.
Zusammenfassung Mikrosondenanalysen und die Verfeinerung der Kristallstruktur zeigen, daß Sylvanit, AuAgTe4, aus Baia de Arie (=Offenbánya), Rumänien, eine stöchiometrische Zusammensetzung und eine geordnete Kristallstruktur besitzt (a=8,95(1) Å,b=4,478(5) Å,c=14,62(2) Å; =145,35(5)°;Z=2; RaumgruppeP2/c–C 2h 4 ). Das Au-Atom ist von sechs Te-Atomen in einer für die Oxidationszahl III charakteristischen [4+2]-Koordination umgeben. Um das Ag-Atom (Oxidationszahl I) sind ebenfalls sechs Te-Atome, jedoch in einer [2+2+2]-Koordination, angeordnet. Über gemeinsame Kanten bauen AuTe6- und AgTe6-Polyeder Schichten parallel (100) auf. Diese Schichten werden über Te2-Hanteln (Te–Te=2,82 Å) zu einem Gerüst verknüpft.
Crystal chemistry of natural tellurides. I: Refinement of the crystal structure of sylvanite, AuAgTe4
Summary Electron microprobe analyses and the refinement of the crystal structure indicate, that sylvanite, AuAgTe4, from Baia de Arie (=Offenbánya), Romania, has a stoichiometric composition and an ordered crystal structure (a=8.95(1) Å,b=4.478(5) Å,c=14.62(2) Å; =145.35(5)°;Z=2; space groupP2/c–C 2h 4 ). The Au atom is surrounded by six Te atoms in a [4+2] coordination as characteristic for oxidation state III. Around the Ag atom (oxidation state I) are also six Te atoms, but arranged in a [2+2+2] coordination. Via common edges the AuTe6 and AgTe6 polyhedra build up sheets parallel to (100). These sheets are combined to a network of Te2 dumbbells (Te–Te=2.82 Å).


Mit 2 Abbildungen  相似文献   

12.
Zusammenfassung Admontit ist ein neues Magnesiumborat, das in der Gipslagerstätte Schildmauer bei Admont in der Steiermark (Österreich) in Vergesellschaftung mit drei weiteren neuen borhaltigen Mineralien sowie Gips, Anhydrit, Hexahydrit, Löweit, Quarz und Pyrit auftritt.Das Mineral bildet undeutlich ausgebildete farblose Kristalle von monokliner Symmetrie, die zum Teil nachc gestreckt und tafelig nach {100} sind. Keine Spaltbarkeit, Bruch muschelig, Härte wahrscheinlich 2–3,D gem .=1,82,D x =1,875g·cm–3;n =1,442±0,002,n =1,504±0,002, 2V 30°,r. AE(010),n c auf (010) ca. 45°. a 0=12,68,b 0=10,07,c 0=11,32 Å (alle Werte±0,02 Å),=109,68° (±0,1°),Z=2, RaumgruppeP21/c. Stärkste Linien des Pulverdiagramms: 12,08(9), 7,60(10), 3,93(8), 2,68(9). Formel: 2 MgO·6 B2O3·15 H2O. In Wasser wird Admontit langsam zersetzt. Erhitzungsversuche zeigten, daß das Gitter zwischen 100 und 200°C zerstört wird. Ein Teil des Wassers entweicht schon unterhalb 100°C, der Rest zwischen 150 und 350°C.
Admontite, a new borate mineral from the gypsum deposit Schildmauer near Admont in Styria (Austria)
Summary Admontite is a new magnesium borate found in the gypsum deposit of Schildmauer near Admont in Styria (Austria) in association with three other new borium-containing minerals and with gypsum, anhydrite, hexahydrite, löweite, quartz and pyrite.The mineral occurs in poorly developed colourless crystals of monoclinic symmetry, which in part are elongated along thec axis and flattened on {100}. No cleavage, fracture conchoidal, hardness probably 2–3,D meas .=1.82,D x =1.875g·cm–3.n =1.442±0.002,n =1.504±0.002, 2V 30°,r. AE(010),n c on (010) about 45°.a 0=12.68,b 0=10.07,c 0=11.32 Å (all±0.02 Å), =109.68° (±0.1°),Z=2,space groupP21/c. Strongest lines of the powder pattern: 12.08(9), 7.60(10), 3.93(8), 2.68(9). Chemical composition: 2 MgO·6 B2O3·15 H2O. Admontite is slowly decomposed in water. Investigations of the thermal behaviour show that the lattice breaks down between 100 and 200°C. Part of the water escapes already under 100°C, the rest between 150 and 350°C.


Mit 1 Abbildung

Herrn Univ. Prof. Dr.H. Meixner zum 70. Geburtstag gewidmet.  相似文献   

13.
Summary The crystal structure of meta-uranocircite II, Ba(UO2)2(PO4)2·6H2O, has been determined with a synthetic crystal using three-dimensional X-ray techniques.R=0.071 andR w =0.064 were obtained for 1743 observed reflections. Ba(UO2)2(PO4)2·6H2O is monoclinic, space groupP1121/a, a=9.789,b=9.822,c=16.868 Å, =89.95° andZ=4. The structure consists of slightly corrugated UO2PO4 layers parallel (001). The layers are connected by Ba atoms and H2O molecules. Uranium exhibits a (2+4)-coordination with mean U-O bond lengths of 1.78 Å for the uranyl oxygens and 2.28 Å for the phosphate oxygens. The average P-O bond length is 1.52 Å. Barium is coordinated by two uranyl oxygens. two phosphate oxygens and five water molecules. The Ba–O bond lengths vary from 2.74 to 3.11 Å. Two of the six water molecules of the formula are not bonded to barium.
Die Kristallstruktur des Meta-Uranocircits II, Ba(UO2)2(PO4)2·6H2O
Zusammenfassung Die Kristallstruktur des Meta-Uranocircits II, Ba(UO2)2(PO4)2·6H2O, wurde anhand eines künstlichen Kristalls mit dreidimensionalen Röntgendaten bearbeitet und für 1743 Reflexe aufR=0,071 undR w =0,064 verfeinert. Ba(UO2)2(PO4)2·6H2O kristallisiert monoklin in der RaumgruppeP1121/a, a=9,789,b=9,882,c=16,868 Å, =89,95° und einem Zellinhalt von vier Formeleinheiten. Die Struktur besteht aus schwach gewellten UO2PO4-Schichten parallel (001), die durch Ba-Atome und H2O-Moleküle miteinander verknüpft sind. Uran besitzt oktaedrische (2+4)-Koordination mit mittleren U-O-Abständen von 1,78 Å für die Uranylsauerstoffatome und 2,28 Å für die Phosphatsauerstoffatome. Die P-O-Abstände der Phosphattetraeder messen im Mittel 1.52 Å. Barium ist von je zwei Uranyl- und Phosphatsauerstoffatomen sowie von fünf Wassermolekülen koordiniert. Die Ba-O-Abstände betragen 2,74–3,11 Å. Von den sechs H2O-Molekülen der Formel sind zwei nicht an Barium gebunden.


With 3 Figures  相似文献   

14.
Zusammenfassung Die Verbindung Fe2 3+Te4O11 kristallisiert monoklin, RaumgruppeC 2h 5P 21/c, sowie den Gitterkonstantena 0=11,88 Å,b 0=6,95 Å,c 0=14,13 Å, =123°44, Z=4. Die Struktur wurde an dreidimensionalen photographischen Röntgendaten ermittelt.R=0,08 für 1365 beobachtete Reflexe. In der Atomanordnung ist ein Eisenatom verzerrt oktaedrisch von sechs, das zweite Eisenatom von fünf Sauerstoffen umgeben. Jedes Telluratom wird von drei Sauerstoffen in einem Abstand 2,10 Å umgeben. Ein vierter Sauerstoff hat bezüglich dieser drei einen um 10 bis 25% größeren Abstand. Der Übergang von einer (3+1)-zu einer 4-Koordination um vierwertiges Tellur wird aufgezeigt.
The crystal structure of Fe2Te4O11
Summary The compound Fe2 3+Te4O11 crystallizes monoclinic, space groupC 2h 5P 21/c, with lattice constantsa 0=11.88 Å,b 0=6.95 Å,c 0=14.13 Å, =123°44, Z=4. The crystal structure is derived from 3-dimensional photographic X-ray data.R=0.08 for 1365 observed reflections. In the atomic arrangement one iron is coordinated octahedrally by six oxygens, the other one by five oxygens. Each tellurium atom is coordinated by 3 oxygens with Te–O2.10 Å. Comparable with these 3 Te–O distances the distance of a fourth one is 10 to 25% greater. A transition from (3+1) to 4 in the coordination number around tetravalent tellurium is shown.


Mit 6 Abbildungen  相似文献   

15.
Kokchetavite, a new polymorph of K-feldspar (KAlSi3O8), has been identified as micrometer-size inclusions in clinopyroxene and garnet in a garnet-pyroxene rock from the Kokchetav ultrahigh-pressure terrane, Kazakhstan. Kokchetavite has a hexagonal structure with a =5.27(1) Å, c=7.82(1) Å, V=188.09 Å3, Z=1, and is found to be associated with phengite + /-cristobalite (or quartz) + siliceous glass ± phlogopite/titanite/calcite/zircon, occurring as multi-phase inclusions in clinopyroxene and garnet. It is concluded that kokchetavite could not be an exsolution phase in host minerals. Instead, it might be metastably precipitated from an infiltrated K-rich melt during rock exhumation. Alternatively, although less likely, kokchetavite might be derived from dehydration of K-cymrite, which, in turn, was formed at high pressures. In either case, kokchetavite is a metastable polymorph of K-feldspar.  相似文献   

16.
The Yunkai Terrane is one of the most important pre-Devonian areas of metamorphosed supracrustal and granitic basement rocks in the Cathaysia Block of South China. The supracrustal rocks are mainly schist, slate and phyllite, with local paragneiss, granulite, amphibolite and marble, with metamorphic grades ranging from greenschist to granulite facies. Largely on the basis of metamorphic grade, they were previously divided into the Palaeo- to Mesoproterozoic Gaozhou Complex, the early Neoproterozoic Yunkai ‘Group’ and early Palaeozoic sediments. Granitic rocks were considered to be Meso- and Neoproterozoic, or early Palaeozoic in age. In this study, four meta-sedimentary rock samples, two each from the Yunkai ‘Group’ and Gaozhou Complex, together with three granite samples, record metamorphic and magmatic zircon ages of 443–430 Ma (Silurian), with many inherited and detrital zircons with the ages mainly ranging from 1.1 to 0.8 Ga, although zircons with Archaean and Palaeoproterozoic ages have also been identified in several of the samples. A high-grade sillimanite–garnet–cordierite gneiss contains 242 Ma metamorphic zircons, as well as 440 Ma ones. Three of the meta-sedimentary rocks show large variations in major element compositions, but have similar REE patterns, and have tDM model ages of 2.17–1.91 Ga and εNd (440 Ma) values of −13.4 to −10.0. Granites range in composition from monzogranite to syenogranite and record tDM model ages of 2.13–1.42 Ga and εNd (440 Ma) values of −8.4 to −1.2. It is concluded that the Yunkai ‘Group’ and Gaozhou Complex formed coevally in the late Neoproterozoic to early Palaeozoic, probably at the same time as weakly to un-metamorphosed early Palaeozoic sediments in the area. Based on the detrital zircon population, the source area contained Meso- to Neoproterozoic rocks, with some Archaean material. Palaeozoic tectonothermal events and zircon growth in the Yunkai Terrane can be correlated with events of similar age and character known throughout the Cathaysia Block. The lack of evidence for Palaeo- and Mesoproterozoic rocks at Yunkai, as stated in earlier publications, means that revision of the basement geology of Cathaysia is necessary.  相似文献   

17.
Zircon fission-track (FT) and U–Pb analyses were performed on zircon extracted from a pseudotachylyte zone and surrounding rocks of the Asuke Shear Zone (ASZ), Aichi Prefecture, Japan. The U–Pb ages of all four samples are  67–76 Ma, which is interpreted as the formation age of Ryoke granitic rocks along the ASZ. The mean zircon FT age of host rock is 73 ± 7 (2σ) Ma, suggesting a time of initial cooling through the zircon closure temperature. The pseudotachylyte zone however, yielded a zircon FT age of 53 ± 9 (2σ) Ma, statistically different from the age of the host rock. Zircon FTs showed reduced mean lengths and intermediate ages for samples adjacent to the pseudotachylyte zone. Coupled with the new zircon U–Pb ages and previous heat conduction modeling, the present FT data are best interpreted as reflecting paleothermal effects of the frictional heating of the fault. The age for the pseudotachylyte coincides with the change in direction of rotation of the Pacific plate from NW to N which can be considered to initialize the NNE–SSW trending sinistral–extensional ASZ before the Miocene clockwise rotation of SW Japan. The present study demonstrates that a history of fault motions in seismically active regions can be reconstructed by dating pseudotachylytes using zircon FT thermochronology.  相似文献   

18.
Summary The erný Dl mineralization (Giant Mts., Czechoslovakia) consists of calcite veins cross-cutting metamorphic rocks and exhibiting a complex paragenesis of Ni-, Fe-, (Co)- and Cu-, Ag-arsenides associated with native arsenic. Several new minerals belonging to Cu–As and Cu–Ag–As systems were described from this deposit (koutekite, novakite, paxite, kutinaite). New data on paxite, novakite and kutinaite were obtained. Paxite, CuAs2, is monoclinic,P21/c,a=5.830,b=5.111,c=8.084 Å, =99.7°,Z=4,D calc=5.97 g/cm3, polysynthetically twinned along (010). Novakite belongs to the Cu–Ag–As system. It is monoclinic,C2/m,Cm orC2,a=16.269,b=11.711,c=10.007 Å, -112.7°,Z=4,D calc=8.01 g/cm3. The ideal formula is Cu20+x Ag1–x As10,x0.16. New microprobe analyses of kutinaite indicate a cell-content of 4 [Cu14Ag6As7],D calc=8.37 g/cm3.
Résumé La minéralisation du gisement de erný Dl (Monts des Géants, Tchécoslovaquie) se distingue par une paragenèse complexe d'arséniures de Ni, Fe, (Co), Cu et Ag associés à l'arsenic natif, et apparaissant dans des filons de calcite qui recoupent une série de roches métamorphiques. Plusieurs minéraux nouveaux appartenant aux systèmes Cu–As et Cu–Ag–As ont été découverts dans ce gisement (koutekite, novakite, paxite, kutinaïte). De nouvelles données sur la paxite, la novakite et la kutinaïte ont été obtenues. La paxite, CuAs2, est monoclinique,P21/c,a=5,830,b=5,111,c=8,084 Å, =99,7°,Z=4,D calc=5,97 g/cm3; elle est polysythétiquement maclée suivant (010). La novakite est une phase du système Cu–Ag–As. Elle est monoclinique,C2/m,Cm ouC2,a=16,269,b=11,711,c=10,007 Å, =112,7°,Z=4,D calc=8,01 g/cm3. Saformule idéale s'écrit Cu20+x Ag1–x As10,x0,16. Des analyses de la kutinaïte conduisent à 4 [Cu14Ag6As7] par maille,D calc=8,37 g/cm3.L'étude paragénétique a permis de voir que le système hydrothermal à erný Dl couvre un interval de température large, s'étalant de500° à 100°C environ. Une très forte activité d'arsenic au cours des épisodes minéralisants tardifs a abouti à la cristallisation des arséniures de Cu riches en arsenic, stables à basse température. Cinq épisodes minéralisants ont été reconnus: le dépôt des arséniures de Ni, Fe, (Co) (löllingite, nickéline, pararammelsbergite, chloentite) était suivi de: kutinaïte, koutekite, arsenic natif et arséniures de cuivre riches en arsenic (novakite, Cu2As, paxite). L'abondance des carbonates laisse entrevoir un rôle de composés ou de complexes de carbone dans l'évolution de ce système hydrothermal fortement réducteur.The study of mineral associations showed that the erný Dl hydrothermal system extended over a large temperature interval from 500° to 100°C. An extremely high arsenic activity during the late mineralization periods lead to the precipitation of low-temperature, As-rich copper arsenides. Five mineralization periods were distinguished: the precipitation of Ni-, Fe-, (Co)-arsenides (löllingite, nickeline, pararammelsbergite, chloanthite) was followed by kutinaite, koutekite, native arsenic and As-rich copper arsenides (novakite, Cu2As, paxite). The abundance of carbonates suggests a possible role of carbon compounds or complexes in the evolution of this highly reducing hydrothermal system.


With 2 Figures  相似文献   

19.
This paper reports a study of the metamorphic evolution of pelitic, semi-pelitic migmatites and mafic granulites of the Chafalote Metamorphic Suite (CMS), Uruguay, which represents the southernmost exposures of high-grade metamorphic rocks in the Dom Feliciano Belt, Uruguain—Sul-Rio-Grandense shield, South America. This belt is one of the Brasiliano orogens that crop out along the Brazilian and Uruguayan Atlantic margin, and the CMS is one of several disconnected segments of supracrustal rock in a dominantly granitic terrain. Petrological evidence from CMS mafic granulites and semi-pelitic migmatites indicates four distinct metamorphic assemblages. The early prograde assemblage (M1) is preserved only as inclusions in porphyroblasts of the peak-metamorphic (M2) assemblage. Peak-metamorphism was followed by near-isothermal decompression (M3), which resulted in symplectites and coronitic textures in the mafic granulites and compositional zoning of Ca in garnet (decreasing rimwards) and plagioclase (increasing rimwards) in the semi-pelitic migmatites. The retrograde metamorphic assemblage (M4) is represented by hydration reaction textures replacing minerals of the M2 and M3 assemblages. Average PT calculations using the program THERMOCALC and conventional thermobarometric methods yield peak-metamorphic (M2) PT conditions of 7–10 kbar and 830–950 °C, near-decompressional (M3) PT conditions of 4.8–5.5 kbar and 788–830 °C and M4 retrograde PT conditions of 3–6 kbar and 600–750 °C. The calculated PT path for the CMS rocks is ‘clockwise’ and incorporates a near-isothermal decompression segment followed by minor cooling, consistent with a history of crustal thickening followed by extensional collapse at ca. 650–600 Ma. The metamorphism recorded by rocks of this crustal segment may be correlated with 650 Ma metamorphism in the Coastal Terrane of the Kaoko Belt in Namibia, being the first unequivocal match between South America and Africa provided by crystalline rocks south of the Congo Craton.  相似文献   

20.
Voluminous granitic intrusions are distributed in the West Junggar, NW China, and they can be classified as the dioritic rocks, charnockite and alkali-feldspar granite groups. The dioritic rocks (SiO2 = 50.4–63.8 wt.%) are calc-alkaline and Mg enriched (average MgO = 4.54 wt.%, Mg# = 0.39–0.64), with high Sr/Y ratios (average = 21.2), weak negative Eu (average Eu/Eu = 0.80) and pronounced negative Nb–Ta anomalies. Their Sr–Nd and zircon Hf isotopic compositions ((87Sr/86Sr)i = 0.7035–0.7042, εNd(t) = 4.5–7.9, εHf(t) = 14.1–14.5) show a depleted mantle-like signature. These features are compatible with adakites derived from partial melting of subducted oceanic crust that interacted with mantle materials. The charnockites (SiO2 = 60.0–65.3 wt.%) show transitional geochemical characteristics from calc-alkaline to alkaline, with weak negative Eu (average Eu/Eu = 0.75) but pronounced negative Nb–Ta anomalies. Sr–Nd and zircon Hf isotopic compositions ((87Sr/86Sr)i = 0.7037–0.7039, εNd(t) = 5.2–8.0, εHf(t) = 13.9–14.7) also indicate a depleted source, suggesting melts from a hot, juvenile lower crust. Alkali-feldspar granites (SiO2 = 70.0–78.4 wt.%) are alkali and Fe-enriched, and have distinct negative Eu and Nb–Ta anomalies (average Eu/Eu = 0.26), low Sr/Y ratios (average = 2.11), and depleted Sr–Nd and zircon Hf isotopic compositions ((87Sr/86Sr)i = 0.7024–0.7045, εNd(t) = 5.1–8.9, εHf(t) = 13.7–14.2). These characteristics are also comparable with those of rocks derived from juvenile lower crust. Despite of the differences in petrology, geochemistry and possibly different origins, zircon ages indicate that these three groups of rocks were coevally emplaced at ~ 305 Ma.A ridge subduction model can account for the geochemical characteristics of these granitoids and coeval mafic rocks. As the “slab window” opened, upwelling asthenosphere provided enhanced heat flux and triggered voluminous magmatisms: partial melting of the subducting slab formed the dioritic rocks; partial melting of the hot juvenile lower crust produced charnockite and alkali-feldspar granite, and partial melting in the mantle wedge generated mafic rocks in the region. These results suggest that subduction was ongoing in the Late Carboniferous and, thus support that the accretion and collision in the Central Asian Orogenic Belt took place in North Xinjiang after 305 Ma, and possibly in the Permian.  相似文献   

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