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1.
Although stolzite was discovered in Yaogangxian, Hunan Province, China, in 1948, no formal report about this mineral has been published. Recently its crystal structure has been refined by means of the Rietveld method. The cell dimensions of the mineral are: a=b= 0.544503(3) nm, c= 1.20495(1)nm and α=β=γ=90° . The X, Y and Z coordinates of the atom O refined by the authors are 0.2637, 0.1137 and 0.0706, respectively. The length of the W-O bond is 0.17826 nm and the angle of the O-W-O bound are 123° and 103° ,respectively.  相似文献   

2.
In the present study, the modified Sverjensky–Molling equation, derived from a linear-free energy relationship, is used to predict the Gibbs free energies of formation of crystalline phases of α-MOOH (with a goethite structure) and α-M2O3 (with a hematite structure) from the known thermodynamic properties of the corresponding aqueous trivalent cations (M3+). The modified equation is expressed as ΔG0f,MVX=aMVXΔG0n,M3++bMVX+βMVXγM3+, where the coefficients aMVX, bMVX, and βMVX characterize a particular structural family of MvX (M is a trivalent cation [M3+] and X represents the remainder of the composition of solid); γ3+ is the ionic radius of trivalent cations (M3+); ΔG0f,MVX is the standard Gibbs free energy of formation of MvX; and ΔG0n,M3+ is the non-solvation energy of trivalent cations (M3+). By fitting the equation to the known experimental thermodynamic data, the coefficients for the goethite family (α-MOOH) are aMVX=0.8838, bMVX=?424.4431 (kcal/mol), and βMVX=115 (kcal/mol.?), while the coefficients for the hematite family (α-M2O3) are aMVX=1.7468, bMVX=?814.9573 (kcal/mol), and βMVX=278 (kcal/mol.?). The constrained relationship can be used to predict the standard Gibbs free energies of formation of crystalline phases and fictive phases (i.e. phases that are thermodynamically unstable and do not occur at standard conditions) within the isostructural families of goethite (α-MOOH) and hematite (α-M2O3) if the standard Gibbs free energies of formation of the trivalent cations are known.  相似文献   

3.
It was not possible to carry out a complete analyses of crystal, as the experiment by Ding and Shi et al.. It's analysis precision R=0.25 or more big than this, which value are not satisfied for single crystal study, but we through many test and found the best: [R(int)=14.5%]. The final fullmatix least-squares refinement on F2 converged to R1=0.0791 and wR2=0.1864 for 704 observed reflections [I 3 2s(I)]. Daomanite is orthorhombic system, space group Cmc21, a=3.7520(8))?, b=15.844(4) ?, c=5.8516(12) ?, α=β=γ=90°. V=347.86(14)?3, Z=4. Daomanite chemical formula is Cu Pt AsS 2. Idealized composition Me+M2+M2+S2=CuS ·PtA s S. There is no other similar mineral in the world.  相似文献   

4.
The correlation between the Δ13c and 18O in primary carbonates is affected by several factors such as hydrological balance, total CO2 concentrations, climatic condition and lake productivity.The influence of these factors on the Δ13c-δ18 correlation may be different on different time scales. In this paper, two different-type lakes in southwestern China, Lake Erhal and Lake Chenghai, are selected to investigate the influence of climatic pattern on the Δ13c-Δ18o correlation and to evaluate the reliability of the Δ13c-Δ18o covariance as an indicator of hydrological closure. The results show that there exists good correlation between the Δ13c and Δ18o in Lake Erhai (overflowing open lake) and inLake Chenghal (closed lake). This suggests that the Δ13c-Δ18o covariance may be not an effective indicator of hydrological closure for lakes, especially on short time scales. On the one hand, a hydrologically open lake may display covariant Δ13c and δ18 as a result of climatic influence. The particular alternate warm-dry and cold-wet climatic pattern in southwestern China may be the principal cause of the Δ13c-δ18 covariance in Lake Erhai and Lake Chenghal. On the other hand, a hydrologically closed lake unnecessarily displays covariant trends between Δ13c and δ18 because of the buffering effect of high CO2 concentration on the Δ13c shift in hyper-alkaline lakes. We should be the buffering feeect of high CO2 concentration on the 13Cshift in hyper-alkaline lakes.We should be prudent when we use the covariance between 13C and 18O to judge the hydrological closure of lake.  相似文献   

5.
α-PbO2-type TiO2 (TiO2-Ⅱ) is an important index mineral for ultrahigh-pressure metamorphism. After the discovery of a natural high-pressure phase of titanium oxide with α-PbO2- structure in omphacite from coesite-bearing eclogite at Shima in the Dabie Mountains, China, a nanoscale (〈2 nm) α-PbO2-type TiO2 has been identified through electron diffraction and high-resolution transmission electron microscopy in coesite-bearing jadeite quartzite at Shuanghe in the Dabie Mountains. The crystal structure is orthorhombic with lattice parameters a = 4.58×10-1 nm, b = 5.42×10-1 nm, c = 4.96×10-1 nm and space group Pbcn. The analysis results reveal that ruffle {011}R twin interface is a basic structural unit of α-PbO2-type TiO2. Nucleation of α-PbO2-type TiO2 lamellae is caused by the displacement of one half of the titanium cations within the {011}R twin slab. This displacement reduces the Ti-O-Ti distance and is favored by high pressure. The identification of α- PbO2-type TiO2 in coesite-bearing jadeite quartzite from Shuanghe, Dabie Mountains, provides a new and powerful evidence of ultrahigh-pressure metamorphism at 4--7 GPa, 850℃-900℃, and implies a burial of continental crustal rocks to 130-200 kilometers depth or deeper. The α-PbO2-type TiO2 may be a useful indicator of the pressure and temperature in the diamond stability field.  相似文献   

6.
The Tanjianshan Group, which was previously divided into a, b, c and d formations, has been controversial for a long time. It mainly distributes in the northern margin of Qaidam Basin and is an important early Paleozoic greenschist facies metamorphic volcanic sedimentary rock formation. Detailed field investigation and zircon LA-ICPMS U-Pb dating of the key strata suggest that the original lower part of a Formation(a-1) versus the original middle upper of d Formation(d-3 and d-4), the original upper part of a Formation(a-2) and b Formation versus the original lower part of d Formation(d-1 and d-2) of Tanjianshan Group are contemporaneous heterotopic facies volcanicclasolite deposit, respectively. The former formations formed during the middle-late Ordovician(463–458 Ma), while the latter ones formed in the late Ordovician(about 445 Ma). The original c formation of Tanjianshan Group, which formed after 430 Ma, is similar to the Maoniushan Formation of Kunlun Mountains and north Qaidam Basin. According to the rules of stratigraphic division and naming, new stratum formations of Tanjianshan Group are re-built and divided into Duancenggou(O1-2td), Zhongjiangou(O2-3tz) and Xitieshan(O3tx) formations. The original c Formation is separated from Tanjianshan Group and is renamed as the Wuminggou Formation(S3-D1w), which shows a discordant contact with underlying Tanjianshan Group and overlying Amunike Formation(D3a). The zircon U-Pb age frequency spectrogram of Tanjianshan Group indicates three prominent peaks of 430 Ma, 460 Ma and 908 Ma, which is consistent with the metamorphic and magmatic crystallization ages obtained from para- and orthogneisses in north Qaidam HP-UHP metamorphic belt, implying that strong Caledonian and Jinningian tectonic and magmatic events have ever happened in North Qaidam.  相似文献   

7.
Hydroxycalciopyrochlore, ideally(Ca,Na,U,□)2(Nb,Ti)2O6(OH), cubic, is a new mineral species(IMA2011-026) within the pyrochlore supergroup that was found occurring at the Maoniuping mine, Mianning County, Xichang prefecture, Sichuan Province, southwest China. The mineral is found in an alkali feldspar granite rare-earth ore deposit(26–27 Ma). Associated minerals include calcite, barite, celestine, albite, aegirine, aegirine-augite, fluorite, parasite-(Ce), thorite, thorianite, zircon, galena, sphalerite, magnetite, and pyrite. Crystals occur mostly as octahedra, and less often as dodecahedra and tetrahexahedra or combinations thereof. Some occur with an allotriomorphic habit with a thick triangular tabular form. Crystals generally range from 0.1 to 1 mm in size. The mineral is brownishblack, greenish-black and black on fresh sections with a brown streak. The crystal is translucent, and has a greasy lustre on fresh sections. It is metamict without any observed parting or cleavage and with a conchoidal fracture. The Vickers microhardness is 572 kg/mm2(5–6 on the Mohs hardness scale). The density measured by hydrostatic weighing is 5.10(3) g/cm3. The strongest four reflections in the X-ray powder-diffraction pattern [d in(I) hkl] are: 2.9657(100) 2 2 2, 1.8142(34) 0 4 4, 1.5463(21) 2 2 6, 2.5688(18) 0 0 4. The unit-cell parameters are a = 10.381(4), V = 1118.7(7)3, Z = 8. The structure was solved and refined in the space group Fd3m with R = 0.09. The empirical formula is(Ca0.74Na0.58U0.40Ce0.05Fe0.02□0.21)2.00(Nb1.15Ti0.80Ta0.03Al0.01Mg0.01)2.00O6.02 [(OH)1.01F0.09]1.10, on the basis of 2 atoms of B pfu; the simplified formula is(Ca,Na,U,□)2(Nb,Ti)2O6(OH). Type material is deposited in the Geological Museum of China, Beijing, People's Republic of China, catalogue number M11800.  相似文献   

8.
The crystal structure of lisiguangite,CuPtBiS3,from Yanshan mountains,Chengde Prefecture,Hebei Province,China has been determined by single crystal X-ray diffraction.It belongs to orthorhombic space group P2_12_12_1 with a = 7.7372(15) A,b = 12.844(3) A,c = 4.9062(10) A,V =487.57(17) A~3,Z = 4.The final full-matric least-square refinement on F2 converged with Rl = 0.0495 and wR2 = 0.0992 for 704 observed reflections[I≥2σ(I)].Lisiguangite is the isomorph of known CuNiSbS_3 and CuNiBiS_3· Pt~(2+) and Bi~(3+) have the distorted octahedral coordination enviroments composed of two metal and four S and Cu~(+2) has a distorted tetrahedral coordination environment with four S atoms.Each S atom is surrounded by four metals to give a tetrahedral environment.The crystal structure is a complex 3 dimensional network.  相似文献   

9.
Lisiguangite, CuPtBiS3, is a new mineral species discovered in a PEG-bearing, Co-Cu sulfide vein in garnet pyroxenite of the Yanshan Mountains, Chengde Prefecture, Hebei Province, China. It is associated with chalcopyrite and bornite, galena, minor pyrite, carrolite, molybdenite and the platinum-group minerals daomanite (CuPtAsS2), Co-bearing malanite (Cu(Pt, Co)2S4) sperrylite, moncheite, cooperite and malyshevite (CuPdBiS3), rare damiaoite (Pt2In3) and yixunite (Pt3In). Lisiguangite occurs as idiomorphic crystals, tabular or lamellae (010) and elongated [100] or as aggregates, up to 2 mm long and 0.5 mm wide. The mineral is opaque, has lead-gray color, black streak and metallic luster. The mineral is non-fluorescent. The observed morphology displays the following forms: pinacoids {100}, {010}, {001}, and prism {110}. No twining is observed. The a:b:c ratio, calculated from unit-cell parameters, is 0.6010:1:0.3836. Cleavage: {010} perfect, {001} distinct, {100} may be visible. H Mohs: 21/2; VHN25=46.7-49.8 (mean 48.3) kg/mm2. Tenacity: brittle. Lisiguangite is bright white with a yellowish tint. In reflected light it shows neither internal reflections nor bireflectance or pleochroism. It has weak to moderate anisotropy (blue-greenish to brownish) and parallel-axial extinction. The reflectance values in air (and in oil) for R3, R4 and (imR3, imR4), at the standard Commission on Ore Mineralogy wavelengths are: 37.5, 35.7 (23.4, 22.3) at 470 nm; 38.6, 36.5 (23.6, 22.6) at 546 nm; 39.4, 37.5 (23.6, 22.7) at 589 nm and 40.3, 38.2 (23.7, 22.9) at 650 nm. The average of eight electron-microprobe analyses: Cu 12.98, Pt 30.04, Pd 2.69, Bi 37.65 and S 17.55, totaling 100.91%, corresponding to Cu1.10(Pt 0.83, Pd0.14)Σ0.97Bi0.97S2.96 based on six atoms apfu. The ideal formula is CuPtBiS3. The mineral is orthorhombic. Space group: P212121, a=7.7152(15)?,b=12.838(3)?, c=4.9248(10)?, V=487.80(17)?3, Z=4. The six strongest lines in the X-ray powder-diffraction pattern [d in ? (I) (h k l) are 6.40(30)(020), 3.24(80)(031), 3.03(100)(201), 2.27(40)(051), 2.14(50)(250), 1.865(60)(232).  相似文献   

10.
Design and Implementation of Space Dust Database   总被引:2,自引:0,他引:2  
Space debris is very dangerous to the security of on-the-orbit spacecrafts, and it is increasing in number at high speed with the expansion of human space exploration. Space debris has become a serious space pollutant noticed by many astronomers. The increase of space dust sources and the development of research on space dust urgently need space dust data sharing and exchanging. It is necessary for us to establish the Space Dust Database to realize the sharing and canonical management of the data. The Space Dust Database (SDD) management system,based on the 3-layer B/S computer mode, was designed and implemented in this paper. The system‘s features include significantly improved runtime efficiency, good scalability and maintainability. The Space Dust Database can pTovide some scientific bases for the study of the chemical constituents, mineral composition, origin and sources of space dust, but also provide excellent data services and decision-making support for the protection of space and model construction of space dust.  相似文献   

11.
The crystal structure of α-CaSi2O5 synthesized at conditions of 1500°C and 10 GPa, has been solved and refined in centrosymmetric space group P , using single crystal X-ray diffraction data. The composition (Z=4) and unit cell are Ca1.02Si1.99O5 by EPMA analysis and a=7.243(2) Å, b=7.546(4) Å, c=6.501(4) Å, α=81.43(5)°, β=84.82(4)°, γ=69.60(3)°, V=329.5(3) Å3, yielding the density value, 3.55 g/cm3. The structure is closely related to that of titanite, CaTiSiO5 and features the square-pyramid five-fold coordination of silicon by oxygen. The ionic radius for five-coordinated Si calculated from the bond distances is 0.33 Å. The substantial deviation of valence sum for Ca indicates the existence of local strain and the instability of α-CaSi2O5 at room pressure.  相似文献   

12.
A modulation function representing the position and density of (Na, Ca) atoms in the superstructure of the e-plagioclase has been derived from the average structures of different plagioclase and a general modulation theory. Based on this function the superstructure of bytownite (An73) has been studied with the single crystal X-ray method. The cell dimensions by Megaw's axes are a=7.946(3)A, b=67.09(2)A, c=12.236(4)A, α=39.03(1)°, β=45.63(1)° and γ=59.63(1)°. Z=18(Na, Ca) Al(Al, Si)Si2O8. The initial phase factor of the modulation function for bytownite has been obtained from the intensity data of the satellite reflections. This modulation function indicates a coherent small-scale alternation of the Na-rich and Ca-rich bands in the superstructure. This superstructure has been refined by applying the albite and anorthite structures to the Na-rich and Ca-rich bands, respectively. The change of the superstructure of the e-plagioclase due to the compositional change has been described based on the movements of the satellites in reciprocal space. The direction of the coherent small-scale intergrowth of the anorthite-like and albite-like bands is perpendicular to the t vector. The thickness of the intergrowth is 1/|t|. Both direction and thickness change regularly from An75 to An25.  相似文献   

13.
The space group of an orthopyroxene (En86) from a deep crustal lunar rock (sample 76535) that was previously reported as having space group P21 ca has been re-examined on an automated X-ray diffractometer. In addition to diffractions violating the b-glide of the conventional space group, Pbca (0kl,k-odd) reported in the earlier study, diffractions violating the a-glide of Pbca are also present. Careful examination of both the a-glide- and b-glide-violations shows them to be sharp, with no evidence of diffuse streaks parallel to a *, and with consistent intensities at several rotations about ψ. Diffractions violating the b-glide are in registry with the host, however, those violating the a-glide appear to be out of registry and result from a cell with a slightly longer a of about 18.4 Å, consistent with previous electron diffraction studies. The most reasonable explanation for the observed space group violations is that both the a- and b-glide violations result from ordering of Ca into (100) Guinier-Preston (G-P) zones that possess orthopyroxene topology, but have space group P21/c and a cell of a=18.4 Å, b=8.83 Å, c=5.18 Å, and β=90.0°; whereas the Cadepleted host has space group Pbca and a cell of a= 18.230(6) Å, b = 8.828(2) Å, and c=5.1946(9) Å. In addition to the G-P zones which may compose 12% or more of the sample, the crystal contains (100) lamellae of pigeonite, and other samples from the same rock contain lamellae of augite.  相似文献   

14.
Sabugalite has been synthesized directly from pure chemicals. From chemical, differential thermal and thermogravimetric analyses, its formula is calculated as HA1(UO2/PO4)2·16H2O. The natural relationship between hydrogen autunite, autunite and sabugalite was investigated by means of ion exchange experiments, and its infrared spectrum, electrokinetic properties and solubility studied. An increase in solubility results in a more positive zeta-potential. The cell dimensions have been determined from Guinier-Hägg diffraction data. Synthetic sabugalite crystallizes in the monoclinic system with space group C2/m and cell parameters: a=19.426 Å; b=9.843 Å; c=9.850 Å; α=γ=90°; β=96.161°; V=1,872.54 Å3 and Z=2.  相似文献   

15.
We have collected high-resolution neutron powder diffraction patterns from MgSO4·11D2O over the temperature range 4.2–250 K. The crystal is triclinic, space-group \( \text{P} \bar{1} \) (Z = 2) with a = 6.72746(6) Å, b = 6.78141(6) Å, c = 17.31803(13) Å, α = 88.2062(6)°, β = 89.4473(8)°, γ = 62.6075(5)°, and V = 701.140(6) Å3 at 4.2 K, and a = 6.75081(3) Å, b = 6.81463(3) Å, c = 17.29241(6) Å, α = 88.1183(3)°, β = 89.4808(3)°, γ = 62.6891(3)°, and V = 706.450(3) Å3 at 250 K. Structures were refined to wRp = 3.99 and 2.84% at 4.2 and 250 K, respectively. The temperature dependence of the lattice parameters over the intervening range have been fitted with a modified Einstein oscillator model which was used to obtain the coefficients of the thermal expansion tensor. The volume thermal expansion, αV, is considerably smaller than ice Ih at all temperatures, and smaller even than MgSO4·7D2O (although ?αV/?T is very similar for both sulfates); MgSO4·11D2O exhibits negative αV below 55 K (compared to 70 K in D2O ice Ih and 20 K in MgSO4·7D2O) The relationship between the magnitude and orientation of the principal axes of the expansion tensor and the main structural elements are discussed.  相似文献   

16.
High-pressure phase transitions of CaRhO3 perovskite were examined at pressures of 6–27 GPa and temperatures of 1,000–1,930°C, using a multi-anvil apparatus. The results indicate that CaRhO3 perovskite successively transforms to two new high-pressure phases with increasing pressure. Rietveld analysis of powder X-ray diffraction data indicated that, in the two new phases, the phase stable at higher pressure possesses the CaIrO3-type post-perovskite structure (space group Cmcm) with lattice parameters: a = 3.1013(1) Å, b = 9.8555(2) Å, c = 7.2643(1) Å, V m  = 33.43(1) cm3/mol. The Rietveld analysis also indicated that CaRhO3 perovskite has the GdFeO3-type structure (space group Pnma) with lattice parameters: a = 5.5631(1) Å, b = 7.6308(1) Å, c = 5.3267(1) Å, V m  = 34.04(1) cm3/mol. The third phase stable in the intermediate P, T conditions between perovskite and post-perovskite has monoclinic symmetry with the cell parameters: a = 12.490(3) Å, b = 3.1233(3) Å, c = 8.8630(7) Å, β = 103.96(1)°, V m  = 33.66(1) cm3/mol (Z = 6). Molar volume changes from perovskite to the intermediate phase and from the intermediate phase to post-perovskite are –1.1 and –0.7%, respectively. The equilibrium phase relations determined indicate that the boundary slopes are large positive values: 29 ± 2 MPa/K for the perovskite—intermediate phase transition and 62 ± 6 MPa/K for the intermediate phase—post-perovskite transition. The structural features of the CaRhO3 intermediate phase suggest that the phase has edge-sharing RhO6 octahedra and may have an intermediate structure between perovskite and post-perovskite.  相似文献   

17.
1 Introduction Chevkinite groups can be assigned to the chevkinite-(Ce) subgroup and perrierite-(Ce) subgroup in accord with the angle β : β ≈ 100o for the chevkinite subgroup and β ≈ 113o for the perrierite subgroup. Chevkinite-(Ce), polykovite-(Ce) and Maoniupingite (new mineral No. 017 of 2003) belong to the former subgroup, while renjeite and matsubaraite belong to the latter group. As strontio-chevkinite is a Sr-analogue of perrierite, usually the natural chevkinite-(Ce) group min…  相似文献   

18.
Xinganite is a new REE-Be-rich silicate discovered in China. Its ideal formula is: (Y, Ce)Be SiO4 OH. The mineral is of monoclinic system. The intensity data were collected with a single-crystal four-circle diffractometer. The lattice parameters are: a=4.7681 (± 0.00263) Å,b=7.7657 (± 0.00686) Å, c=9.9301 (± 0.00639) Å; α =90°, β=90.171° (±0.0053°), γ=90° space group p21/c;,Z=4. The crystal structure has been determined by direct methods and electron density synthesis methods. The least squares refinement gave a final discrepancy indexR=0.086. The crystal structural analysis shows that xinganite is of datolite-type structure.  相似文献   

19.
Single crystals of Li-aegirine LiFe3+Si2O6 were synthesized at 1573?K and 3?GPa, and a polycrystalline sample suitable for neutron diffraction was produced by ceramic sintering at 1223?K. LiFe3+Si2O6 is monoclinic, space group C2/c, a=9.6641(2)?Å, b= 8.6612(3)?Å, c=5.2924(2)?Å, β=110.12(1)° at 300?K as refined from powder neutron data. At 229?K Li-aegirine undergoes a phase transition from C2/c to P21 /c. This is indicated by strong discontinuities in the temperature variation of the lattice parameters, especially for the monoclinic angle β and by the appearance of Bragg reflections (hkl) with h+k≠2n. In the low-temperature form two non-equivalent Si-sites with 〈SiA–O〉=1.622?Å and 〈SiB–O〉=1.624?Å at 100?K are present. The bridging angles of the SiO4 tetrahedra O3–O3–O3 are 192.55(8)° and 160.02(9)° at 100?K in the two independent tetrahedral chains in space group P21 /c, whereas it is 180.83(9)° at 300?K in the high-temperature C2/c phase, i.e. the chains are nearly fully expanded. Upon the phase transition the Li-coordination changes from six to five. At 100?K four Li–O bond lengths lie within 2.072(4)–2.172(3)?Å, the fifth Li–O bond length is 2.356(4)?Å, whereas the Li–O3?A bond lengths amount to 2.796(4)?Å. From 57Fe Mössbauer spectroscopic measurements between 80 and 500?K the structural phase transition is characterized by a small discontinuity of the quadrupole splitting. Temperature-dependent neutron powder diffraction experiments show first occurrence of magnetic reflections at 16.5?K in good agreement with the point of inflection in the temperature-dependent magnetization of LiFe3+Si2O6. Distinct preordering phenomena can be observed up to 35?K. At the magnetic phase transition the unit cell parameters exhibit a pronounced magneto-striction of the lattice. Below T N Li-aegirine shows a collinear antiferromagnetic structure. From our neutron powder diffraction experiments we extract a collinear antiferromagnetic spin arrangement within the ac plane.  相似文献   

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