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1.
Geology of Ore Deposits - The crystal structure of lemanskiite is determined for the first time (R = 0.019) and the mineral is redefined. Its chemical formula, crystal system, space group and...  相似文献   

2.
Summary The new mineral orschallite, Ca3(SO3)2SO4 · 12H2O, was found at the Hannebacher Ley near Hannebach, Eifel, Germany. Crystal structure analysis of the mineral, chemical analysis and water determination on synthetic material gave the composition Ca3(SO3)2SO4 · 12H2O. The mineral crystallizes in space group with a = 11.350(1), c = 28.321(2) Å, V = 3159.7 Å3, Z = 6, Dc = 1.87 Mg/m3, Dm = 1.90(3) Mg/m3. It is uniaxial positive with the optical constants = 1.4941, = 1.4960(4). The strongest lines in the powder pattern are (d-value (Å), I, hkl) 5.73, 100, 1 0 4/8.11, 80, 0 1 2/2.69, 80, 3 0 6/3.63, 60, 1 1 6/3.28, 40, 3 0 0. Refinement of the crystal structure led to a weighted residual of Rw = 0.043 for 600 observed reflections with I > 2(I) and 52 variable parameters.
Orschallit, Ca3(SO3)2SO4 · 12H2O, ein neues Kalzium-Sulfat-Sulfat-Hydrat-Mineral
Zusammenfassung Das neue Mineral Orschallit, Ca3(SO3)2SO4 · 12H2O, wurde in der Hannebacher Ley bei Hannebach, Eifel, Deutschland gefunden. Eine Analyse der Kristallstruktur an einem Einkristall des natürlichen Materials, chemische Analyse und Wasserbestimmung an synthetischem Material ergaben die Zusammensetzung Ca3(SO3)2SO4 · 12H2O. Das Mineral kristallisiert in der Raumgruppe mit a = 11.350(1), c = 28.321(2) Å, V = 3159.7 Å3, Z = 6, Dc = 1.87 Mg/m3, Dm = 1.90(3) Mg/m3. Es ist optisch einachsig mit den optischen Konstanten = 1.4941, = 1.4960(4). Die stärksten Linien des Pulver-diagramms liegen bei (d-Wert (Å), I, hkl) 5.73, 100, 1 0 4/8.11, 80, 0 1 2/2.69, 80, 3 0 6/3.63, 60; 1 1 6/3.28, 40, 3 0 0. Die Verfeinerung der Kristallstruktur ergab einen gewichteten Residualwert Rw = 0.043 für 600 beobachtete Reflexe mit I > 2(I) und 52 variable Parameter.


With 5 Figures  相似文献   

3.
The results of an examination of vladimirivanovite, a new mineral of the sodalite group, found at the Tultui deposit in the Baikal region are discussed. The mineral occurs in the form of outer rims (0.01–3 mm thick) of lazurite, elongated segregations without faced crystals (0.2 to 3–4 mm in size; less frequently, 4 × 12–15 × 20 mm), and rare veinlets (up to 5 mm) hosted in calciphyre and marble. Vladimirivanovite is irregular and patchy dark blue. The mineral is brittle; on average, the microhardness VHN is 522–604, 575 kg/mm2; and the Mohs hardness is 5.0–5.5. The measured and calculated densities are 2.48(3) and 2.436 g/cm3, respectively. Vladimirivanovite is optically biaxial; 2V meas = 63(±1)°, 2V calc = 66.2°; the refractive indices are α = 1.502–1.507 (±0.002), N m = 1.509–1.514 (±0.002), and N g = 1.512–1.517 (±0.002). The chemical composition is as follows, wt %: 32.59 SiO2, 27.39 Al2O3, 7.66 CaO, 17.74 Na2O, 11.37 SO3, 1.94 S, 0.12 Cl, and 1.0 H2O; total is 99.62. The empirical formula calculated based on (Si + Al) = 12 with sulfide sulfur determined from the charge balance is Na6.36Ca1.52(Si6.03Al5.97)Σ12O23.99(SO4)1.58(S3)0.17(S2)0.08 · Cl0.04 · 0.62H2O; the idealized formula is Na6Ca2[Al6Si6O24](SO4,S3,S2,Cl)2 · H2O. The new mineral is orthorhombic, space group Pnaa; the unit-cell dimensions are a = 9.066, b = 12.851, c = 38.558 Å, V = 4492 Å3, and Z = 6. The strongest reflections in the X-ray powder diffraction pattern (dÅ—I[hkl]) are: 6.61–5[015], 6.43–11[020, 006], 3.71–100[119, 133], 2.623–30[20.12, 240], 2.273–6[04.12], 2.141–14[159, 13.15], 1.783–9[06.12, 04.18], and 1.606–6[080, 00.24]. The crystal structure has been solved with a single crystal. The mineral was named in memoriam of Vladimir Georgievich Ivanov (1947–2002), Russian mineralogist and geochemist. The type material of the mineral is deposited at the Mineralogical Museum of St. Petersburg State University, St. Petersburg, Russia.  相似文献   

4.
Summary Crystals of K2[Co2(SeO3)3]-2H2O and K2[Ni2(SeO3)3]-2H2O were synthesized under low-hydrothermal conditions. Their structures were determined using single crystal X-ray data up to sin / = 0.7Å-1. [Space group P63/m; a = 9.091(3),9.016(2)Å; c = 7.562(2), 7.476(2)Å; Z = 2; RW = 1.6, 2.5%]. The investigations confirmed that K2[Co2(SeO3)3].2H2O and K2[Ni2(SeO3)3]-2H2O represent the first selenites belonging to the zemannite structure type, a framework structure with wide channels running parallel [0001]. In both compounds four maxima were clearly located in the channel by Fourier summations and attributed to two K atoms and two H2O molecules, each with an occupancy factor of 1/6; a possible ordering scheme (full occupancy) with local symmetry 1 and [6]-coordinated K atoms could be derived for the channel atoms.Zusammenfassung Kristalle von K2[Co2(SeO3)3]-2H2O und K2[Ni2(SeO3)3]-2H2O wurden unter niedrig-hydrothermalen Bedingungen synthetisiert. Die Strukturen wurden unter Verwendung von Einkristallröntgendaten bis sin /= 0.7Å-1 bestimmt. [Raumgruppe P63/m; a = 9.091(3), 9.016(2)Å; c = 7.562(2), 7.476(2)Å; Z = 2; RW = 1.6, 2.5%] Die Untersuchungen bestätigten, daß K2[Co2(SeO3)3] - 2H2O und K2 [Ni2(SeO3)3] - 2H2O als erste Selenite dem Strukturtyp des Zemannits angehören, einer Gerüststruktur mit weiten, parallel [0001] verlaufenden Kanälen. In beiden Verbindungen wurden im Kanal vier Maxima durch Fourier-Summationen eindeutig lokalisiert und zwei Kalium-atomen sowie zwei H2O Molekülen, jeweils mit einem Besetzungsfaktor von 1/6, zugeschrieben. Für die Kanalatome konnte ein möglicher Ordnungszustand (volle Besetzung) mit lokaler Symmetrie 1 und [6]-koordinierten Kaliumatomen abgeleitet werden.
Selenite des Zemannittyps: Kristallstrukturen von K2[Co2(SeO3)3] - 2H2O und K2[Ni2(SeO3)3]-2H2O

Dedicated to Prof. Dr. Josef Zemann at the occasion of his 70th birthday

With 2 Figures  相似文献   

5.
Polarized single crystal absorption spectra, in the spectral range 40 000–5 000 cm-1, were obtained on Co2+ in trigonally distorted octahedral oxygen fields of buetschliite-type K2Co(SeO3)2 (I), K2Co2(SeO3)3 (II) and zemannite-type K2Co2(SeO3)3 · 2H2O (III). Site symmetries of Co2+ are m (D3d) in I, 3m (C3v) in II, and 3 (C3) in III. The spectra can be interpreted on the basis of an electric dipole mechanism, wherein transitions of Co2+ in the centrosymmetric site in I gain intensity from dynamic removal of the inversion centre by vibronic coupling. In accordance with the elongation of the CoO6 octahedra along the trigonal axis, the split component E(g) of the ground state 4T1g in octahedral fields is the ground state in all three compounds. Trigonal field parameters Dq(trig), D, D and the Racah parameters B have been fitted to the energies of spin allowed transitions (293 K) as follows: I: 744, 94, -16, and 838 cm-1, resp.; II: 647, 227, 42, and 798 cm-1, resp.; III: 667, 181, 21, and 809 cm-1, respectively. Racah parameters C were estimated from the energy of some observed spin-forbidden transitions to be 3770 (I), 3280 (II), and 3465 cm-1 (III). Values of Dq and of the Racah parameters B and C indicate slight differences of Co2+-O bonding in I as compared to II and III, with somewhat higher covalency in compounds II and III which contain face-sharing CoO6 octahedra with short Co-Co contacts. Also, in II and III the observed D values do not agree with theoretical D values, predicted from the magnitude of the mean octahedral distortions.  相似文献   

6.
陈巍 《江西地质科技》1996,23(4):195-197
选择Chromsorb104作固定相,解决了H2O对测SO2的干扰,也避免了酸分解法测CO2的干扰,可一次实现四种成份连测,具有快速,灵敏(万分之几至十万分之几)用样量少等特点,很适宜批量样品的分析。  相似文献   

7.
Albrechtschraufite, MgCa4F2[UO2(CO3)3]2?17-18H2O, triclinic, space group Pī, a?=?13.569(2), b?=?13.419(2), c?=?11.622(2) Å, α?=?115.82(1), β?=?107.61(1), γ?=?92.84(1)° (structural unit cell, not reduced), V?=?1774.6(5) Å3, Z?=?2, D c?=?2.69 g/cm3 (for 17.5 H2O), is a mineral that was found in small amounts with schröckingerite, NaCa3F[UO2(CO3)3](SO4)?10H2O, on a museum specimen of uranium ore from Joachimsthal (Jáchymov), Czech Republic. The mineral forms small grain-like subhedral crystals (≤ 0.2 mm) that resemble in appearance liebigite, Ca2[UO2(CO3)3]??~?11H2O. Colour pale yellow-green, luster vitreous, transparent, pale bluish green fluorescence under ultraviolet light. Optical data: Biaxial negative, nX?=?1.511(2), nY?=?1.550(2), nZ?=?1.566(2), 2?V?=?65(1)° (λ?=?589 nm), r < v weak. After qualitative tests had shown the presence of Ca, U, Mg, CO2 and H2O, the chemical formula was determined by a crystal structure analysis based on X-ray four-circle diffractometer data. The structure was later on refined with data from a CCD diffractometer to R1?=?0.0206 and wR2?=?0.0429 for 9,236 independent observed reflections. The crystal structure contains two independent [UO2(CO3)3]4? anions of which one is bonded to two Mg and six Ca while the second is bonded to only one Mg and three Ca. Magnesium forms a MgF2(Ocarbonate)3(H2O) octahedron that is linked via the F atoms with three Ca atoms so as to provide each F atom with a flat pyramidal coordination by one Mg and two Ca. Calcium is 7- and 8-coordinate forming CaFO6, CaF2O2(H2O)4, CaFO3(H2O)4 and CaO2(H2O)6 coordination polyhedra. The crystal structure is built up from MgCa3F2[UO2(CO3)3]?8H2O layers parallel to (001) which are linked by Ca[UO2(CO3)3]?5H2O moieties into a framework of the composition MgCa4F2[UO2(CO3)3]?13H2O. Five additional water molecules are located in voids of the framework and show large displacement parameters. One of the water positions is partly vacant, leading to a total water content of 17-18H2O per formula unit. The MgCa3F2[UO2(CO3)3]?8H2O layers are pseudosymmetric according to plane group symmetry cmm. The remaining constituents do not sustain this pseudosymmetry and make the entire structure truly triclinic. A characteristic paddle-wheel motif Ca[UO2(CO3)3]4Ca relates the structure of albrechtschraufite partly to that of andersonite and two synthetic alkali calcium uranyl tricarbonates.  相似文献   

8.
9.
Doklady Earth Sciences - Sergeysmirnovite, MgZn2(PO4)2 ·&nbsp;4H2O, is a new mineral from the oxidation zone of the Kester mineral deposit, Sakha-Yakutia, Russia. This mineral forms...  相似文献   

10.
《Applied Geochemistry》2002,17(10):1305-1312
The effect of different drying conditions on the stability of NaNd(CO3)·6H2O and NaEu(CO3)·6H2O and the identity of the decomposition product have been investigated. The rate of decomposition and the nature of the altered phases are dependant on the drying conditions used. When the phases are oven dried at 120 °C, the decomposition is immediate and the phase completely alters to Nd2(CO3)3 or Eu2(CO3)3 respectively. Under less severe drying conditions, the Na rare earth carbonate phases alter to Nd2(CO3)3·8H2O and Eu2(CO3)3·8H2O over a period of 24–48 h, but they can be kept indefinitely in a water saturated environment. The implications for using Nd and Eu as actinide analogues are discussed.  相似文献   

11.
Galgenbergite-(Ce) from the type locality, the railroad tunnel Galgenberg between Leoben and St. Michael, Styria, Austria, was investigated. There it occurs in small fissures of an albite-chlorite schist as very thin tabular crystals building rosette-shaped aggregates associated with siderite, ancylite-(Ce), pyrite and calcite. Electron microprobe analyses gave CaO 9.49, Ce2O3 28.95, La2O3 11.70, Nd2O3 11.86, Pr2O3 3.48, CO2 30.00, H2O 3.07, total 98.55 wt.%. CO2 and H2O calculated by stoichiometry. The empirical formula (based on Ca + REE ∑3.0) is $ \mathrm{C}{{\mathrm{a}}_{1.00 }}{{\left( {\mathrm{C}{{\mathrm{e}}_{1.04 }}\mathrm{L}{{\mathrm{a}}_{0.42 }}\mathrm{N}{{\mathrm{d}}_{0.42 }}\mathrm{P}{{\mathrm{r}}_{0.12 }}} \right)}_{2.00 }}{{\left( {\mathrm{C}{{\mathrm{O}}_3}} \right)}_4}\cdot {{\mathrm{H}}_2}\mathrm{O} $ , and the simplified formula is $ \mathrm{CaC}{{\mathrm{e}}_2}{{\left( {\mathrm{C}{{\mathrm{O}}_3}} \right)}_4}\cdot {{\mathrm{H}}_2}\mathrm{O} $ . According to X-ray single crystal diffraction galgenbergite-(Ce) is triclinic, space group $ P\overline{1},a=6.3916(5) $ , b?=?6.4005(4), c?=?12.3898(9) Å, α?=?100.884(4), β?=?96.525(4), γ?=?100.492(4)°, V?=?483.64(6) Å3, Z?=?2. The eight strongest lines in the powder X-ray diffraction pattern are [d calc in Å/(I)/hkl]: 5.052/(100)/011; 3.011/(70)/0-22; 3.006/(66)/004; 5.899/(59)/-101; 3.900/(51)/1-12; 3.125/(46)/-201; 2.526/(42)/022; 4.694/(38)/-102. The infrared absorption spectrum reveals H2O (OH-stretching mode at 3,489 cm?1, HOH bending mode at 1,607 cm?1) and indicates the presence of distinctly non-equivalent CO3-groups by double and quadruple peaks of their ν1, ν2, ν3 and ν4 modes. The crystal structure of galgenbergite-(Ce) was refined with X-ray single crystal data to R1?=?0.019 for 2,448 unique reflections (I?>?2σ(I)) and 193 parameters. The three cation sites of the structure Ca(1), Ce(2) and Ce(3) have a modest mixed site occupation by Ca and small amount of REE (Ce, La, Pr, Nd) and vice versa. The structure is based on double layers parallel to (001), which are composed of Ca(1)Ce(2)(CO3)2 single layers with an ordered chessboard like arrangement of Ca and Ce, and with a roof tile-like stacking of the CO3 groups. Perpendicular to (001) the double layers are connected to a triclinic framework structure with good cleavage parallel to (001) by a differently organized and more open part of the structure formed by Ce(3)(CO3)2(H2O). Based on the topology of the CaCe(CO3)2 single layer in galgenbergite-(Ce), structural relationships to rutherfordine, to aragonite and ancylite type minerals, and to lanthanite are outlined.  相似文献   

12.
Using single-crystal X-ray diffraction at 293, 200 and 100 K, and neutron diffraction at 50 K, we have refined the positions of all atoms, including hydrogen atoms (previously undetermined), in the structure of coquimbite ( $ P {\bar 3}1c $ , a?=?10.924(2)/10.882(2) Å, c?=?17.086(3) / 17.154(3) Å, V?=?1765.8(3)/1759.2(5) Å3, at 293 / 50 K, respectively). The use of neutron diffraction allowed us to determine precise and accurate hydrogen positions. The O–H distances in coquimbite at 50 K vary between 0.98 and 1.01 Å. In addition to H2O molecules coordinated to the Al3+ and Fe3+ ions, there are rings of six “free” H2O molecules in the coquimbite structure. These rings can be visualized as flattened octahedra with the distance between oxygen and the geometric center of the polyhedron of 2.46 Å. The hydrogen-bonding scheme undergoes no changes with decreasing temperature and the unit cell shrinks linearly from 293 to 100 K. A review of the available data on coquimbite and its “dimorph” paracoquimbite indicates that paracoquimbite may form in phases closer to the nominal composition of Fe2(SO4)3·9H2O. Coquimbite, on the other hand, has a composition approximating Fe1.5Al0.5(SO4)3·9H2O. Hence, even a “simple” sulfate Fe2-x Al x (SO4)3·9H2O may be structurally rather complex.  相似文献   

13.
Mineralogy and Petrology - Batagayite, CaZn2(Zn,Cu)6(PO4)4(PO3OH)3·12H2O, is a new secondary phosphate mineral from the Këster deposit, Arga-Ynnykh-Khai massif, NE Yakutia, Russia. It is...  相似文献   

14.
15.
A new mineral, lahnsteinite, has been found in the dump of the Friedrichssegen Mine, Bad Ems district, Rhineland-Palatinate (Rheinland-Pfalz), Germany. Lahnsteinite, occurring as colorless tabular crystals in the cavities of goethite, is associated with pyromorphite, hydrozincite, quartz, and native copper. The Mohs’ hardness is 1.5; the cleavage is perfect parallel to (001). D calc = 2.995 g/cm3, D meas = 2.98(2) g/cm3. The IR spectrum is given. The new mineral is optically biaxial, negative, α = 1.568(2), β = 1.612(2), γ = 1.613(2), 2V meas = 18(3)°, 2V calc = 17°. The chemical composition (wt %, electron microprobe data; H2O was determined by gas chromatography of ignition products) is as follows: 3.87 FeO, 1.68 CuO, 57.85 ZnO, 15.83 SO3, 22.3 H2O, total is 101.53. The empirical formula is (Zn3.3Fe0.27Cu0.11)Σ3.91(S0.98O4)(OH)5 · 3H2.10O. The crystal structure has been studied on a single crystal. Lahnsteinite is triclinic, space group P1, a = 8.3125(6), b = 14.545(1), c = 18.504(2) Å, α = 89.71(1), β = 90.05(1), γ = 90.13(1)°, V = 2237.2(3) Å3, Z = 8. The strong reflections in the X-ray powder diffraction pattern [d, Å (I, %)] are: 9.30 (100), 4.175 (18), 3.476 (19), 3.290 (19), 2.723 (57), 2.624 (36), 2.503 (35), 1.574 (23). The mineral has been named after its type locality near the town of Lahnstein. The type specimen of lahnsteinite is deposited in the Fersman Mineralogical Museum of the Russian Academy of Sciences, Moscow, registration number 4252/1.  相似文献   

16.
在放射性废物处置岩体(RWMC)中,我们利用环境示踪剂(~(36)Cl,~3H)来评价埋藏核废料附近包气带中天然水的渗入量。通过测定土柱中的~(36)Cl,~3H 来确定50年代末和60年代初核武器试验时大气层产生的放射性核素的最大浓度。在历史上,爱达荷化学处理厂的核燃料再处理给爱达荷国家工程实验室造成了放射性核素的大气污染。~(36)Cl,~3H 分析的土芯取自于检测站(热电偶湿度计、土壤湿度计和中子湿度计)附近的地下原状土。自1985年以来,一直用这些地下检测仪来测定包气带垂向水头分布状况。在放射性废物处置岩体附近,采用中子法探测孔中的原状土层剖面。据环境示踪剂示踪的剖面和中子测井计算出来的渗入量表明,从特定场地渗入到包气带的净渗入量为0.36~1.1 cm/年,相当于年平均降水量的2%~5%。  相似文献   

17.
The high-pressure behavior of Li x La1/3NbO3 (x = 1/6, 1/3, 1/2, 2/3) perovskites where Li cations were substituted for the existing vacancies was studied using synchrotron X-ray diffraction. It was shown that all these materials undergo irreversible pressure-induced amorphization around 14.5 GPa regardless of the Li concentration. The Li-inserted materials were found to exhibit a standard pressure response (bulk modulus pressure derivative B 0′ ~4) when in the crystalline phase, whereas La1/3NbO3 shows a linear volume contraction versus pressure, i.e., B 0′ ~(?1). These results suggest that the structural collapse is not a consequence of cation disorder resulting from the Nb atoms (B-site) migrating to the A-site vacancies. The observed pressure response can be understood by increased occupancy of the A-sites opposing the tilting of the NbO6 octahedra. The pressure evolution of the Nb oxidation state is discussed.  相似文献   

18.
Mineralogy and Petrology - Kampelite, Ba3Mg1.5Sc4(PO4)6(OH)3·4H2O, is a new Ba-Sc phosphate from the Kovdor phoscorite-carbonatite complex (Kola Peninsula, Russia). It is orthorhombic, Pnma,...  相似文献   

19.
杨赞中  廖立兵 《地学前缘》2005,12(1):182-187
热处理脱除有机模板易导致VPO体系孔道结构化合物结构破坏,从而阻碍此类材料的实际应用。以孔道结构化合物(H3NCH2CH2NH3)3[(VO)4 (PO4 )2 (HPO4 )4 ](简称V2P3 en)为研究对象,利用热分析(DSC TG)、动态原位高温X 射线衍射(XRD)及多功能X 射线光电子能谱(XPS)等方法,研究了该化合物在不同气氛热处理过程中模板脱除及结构演化规律,重点探讨了钒氧化态的变化对结构稳定性的影响。结果表明,加热过程中随着有机模板的分解脱除,形成较强的还原环境,骨架中的部分钒被还原(V4+→V3+),使原有的配位环境([VⅣO5]三角双锥、[VⅣO6]畸变八面体)与钒的氧化态不符而导致结构重组。因此,钒氧化态的变化是影响热稳定性的重要因素之一。  相似文献   

20.
971349 Che;19 Jie(China Universityseienees,Beijing)The MammaljanShowjng ClimatieF盆uetuat应on—ExamPle of the Early Pleistoceneof Ge。FaunaS AS anMam-malian Faunas from Zhoukoudian,Beijing,China(ESI矛,ISSN 1 005一2321,CN 11一3370/P,4(2),1997,p·275一279,1 graph,1 table,10 ref) By analyses of the four local marnmalianfaunas from Zhoukoudian,Beijing,the EarlyPleistoeene elimatie and eeologieal environ-CN 11一1 905/Q1 53,1 graph,1735(2).1997,P.145一mental ehangespaper.One of1 .90M…  相似文献   

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