Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016694 | CIF | Ba Ca2 O9 Si3 | P -1 | 6.7335; 9.6142; 6.6859 69.638; 102.281; 96.855 | 396.009 | Barkley, M. C.; Downs, R. T.; Yang, H. Structure of walstromite, BaCa2Si3O9, and its relationship to CaSiO3-walstromite and wollastonite-II American Mineralogist, 2011, 96, 797-801 |
| 9016695 | CIF | Cu F4 Nb O6 | P 1 21/c 1 | 5.59; 9.978; 7.544 90; 103.36; 90 | 409.394 | Crosnier-Lopez M; Duroy, H.; Fourquet, J. About the crystal structure of CuNb(OH,F)7*3H2O _cod_database_code 1000364 Journal of Solid State Chemistry, 1994, 108, 398-401 |
| 9016698 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016700 | CIF | Al3 H3.18 Na3.922 O14.69 P0.3 Si3 | P 63 | 12.7345; 12.7345; 5.1798 90; 90; 120 | 727.457 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Van, K. V.; Pushcharovsky, D. Y. Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 63-74 |
| 9016702 | CIF | Cu5 Li2 O14 Si4 | P -1 | 7.404; 7.754; 5.455 90.52; 106.27; 114.64 | 270.4 | Kawamura, K.; Kawahara, A.; Iiyama, J. T. The crystal structure of Li2Cu5(Si2O7)2 and the proposal of new values for the effective iconic radii of Cu2+ Acta Crystallographica, Section B, 1978, 34, 3181-3185 |
| 9016703 | CIF | Al Ca0.484 O4 Si | P 1 21 1 | 8.228; 8.621; 4.827 90; 90; 90 | 342.396 | Takeuchi, Y.; Haga, N.; Ito, J. The crystal structure of monoclinic CaAl2Si2O8: a case of monoclinic structure closely simulating orthorhombic symmetry Zeitschrift fur Kristallographie, 1973, 137, 380-398 |
| 9016704 | CIF | Al0.16 As4.92 Fe0.84 H16 Mg1.66 Mn23.39 O62 Si7.22 Zn2.81 | C 2 2 21 | 8.1821; 14.1946; 43.9103 90; 90; 90 | 5099.81 | Cooper, M. A.; Hawthorne, F. C. Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA Mineralogical Magazine, 2012, 76, 2819-2836 |
| 9016705 | CIF | C Ca O3 | R -3 c :H | 4.98; 4.98; 17.192 90; 90; 120 | 369.246 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 297 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016706 | CIF | C Ca O3 | R -3 c :H | 4.9844; 4.9844; 17.0376 90; 90; 120 | 366.577 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016707 | CIF | As2 Ba3 O8 | R -3 m :H | 5.7672; 5.7672; 21.163 90; 90; 120 | 609.59 | Park, C. H.; Bluhm, K. Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2 Zeitschrift fur Naturforschung B, 1996, 51, 722-726 |
| 9016708 | CIF | Ba0.16 Ca12.82 F H4.18 K6.94 Mn0.18 Na3.18 O92.59 Si35 Sr0.5 | P 1 21/m 1 | 31.96; 19.64; 7.09 90; 90; 90 | 4450.35 | Rozhdestvenskaya, I.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Reinholdt, A.; Weirich, T. The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O, solved by conventional and automated electron diffraction Note: this is polytype charoite-90 Mineralogical Magazine, 2010, 74, 159-177 |
| 9016709 | CIF | C Fe O3 | R -3 c :H | 4.347; 4.347; 12.477 90; 90; 120 | 204.183 | Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D. Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P27-4, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016710 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5605; 6.5605; 9.6574 90; 90; 120 | 359.969 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.01 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016713 | CIF | Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30 | P 1 c 1 | 13.4499; 12.5046; 26.6148 90; 101.221; 90 | 4390.66 | Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C. The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: brown sample The Canadian Mineralogist, 2011, 49, 1221-1242 |
| 9016714 | CIF | O2 Zr | P 1 21/c 1 | 5.1505; 5.2116; 5.3173 90; 99.23; 90 | 140.881 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9016715 | CIF | La0.1 Nb2 O6 Sr0.9 | P n m a | 11.021; 7.675; 5.584 90; 90.19; 90 | 472.327 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9016716 | CIF | Cr0.01 Fe1.27 Ni0.05 P0.06 Si0.62 | P m -3 m | 2.831; 2.831; 2.831 90; 90; 90 | 22.689 | Anand, M.; Taylor, L. A.; Nazarov, M. A.; Shu, J.; Mao, H. K.; Hemley, R. J. Space weathering on airless planetary bodies: Clues from the lunar mineral hapkeite Proceedings of the National Academy of Sciences, 2005, 101, 6847-6851 |
| 9016719 | CIF | Al2 Co0.08 Mg0.91 O4 | F d -3 m :2 | 8.0848; 8.0848; 8.0848 90; 90; 90 | 528.455 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl1 American Mineralogist, 2012, 97, 1834-1840 |
| 9016720 | CIF | Al5.29 B3 Ca0.301 F0.42 Fe H3.28 Mg2.7 Na0.713 O30.58 Si5.94 Ti0.06 | R 3 m :H | 15.999; 15.999; 7.236 90; 90; 120 | 1604.04 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43873 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016721 | CIF | Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 | R 3 m :H | 15.9783; 15.9783; 7.1507 90; 90; 120 | 1581.03 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR European Journal of Mineralogy, 2012, 24, 695-715 |
| 9016722 | CIF | Al2 Ca H4 O10 Si2 | P 1 21/m 1 | 5.178; 12.787; 5.634 90; 124.67; 90 | 306.798 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9016723 | CIF | H6 Mg O6 Si | P 1 21 1 | 4.958; 5.056; 7.14 90; 89.87; 90 | 178.983 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam American Mineralogist, 2012, 97, 1043-1048 |
| 9016724 | CIF | B4.5 Ba2 H31.44 Na7.2 O144.72 Si40.5 Sr10.8 Zr13 | P -3 c 1 | 26.509; 26.509; 9.975 90; 90; 120 | 6070.58 | McDonald, A. M.; Chao, G. Y. Rogermitchellite, Na12(Sr,Na)24Ba4Zr26Si78(B,Si)12O246(OH)24·18H2O, a new mineral species from Mont Saint-Hilaire, Quebec: Description, structure determination and relationship with HFSE-bearing cyclosilicates The Canadian Mineralogist, 2010, 48, 267-278 |
| 9016726 | CIF | Cl2 Fe | R -3 m :H | 3.589; 3.589; 17.26 90; 90; 120 | 192.539 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 5.70 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9016727 | CIF | Ag1.049 Mn0.901 Pb3 S12 Sb5.049 | P 1 21/n 1 | 19.3645; 12.7287; 8.7571 90; 90.059; 90 | 2158.49 | Yang, H.; Downs, R. T.; Evans, S. H.; Feinglos, M. N.; Tait, K. T. Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213 American Mineralogist, 2011, 96, 1186-1189 |
| 9016728 | CIF | Cr2 O3 | R -3 c :H | 4.957; 4.957; 13.5923 90; 90; 120 | 289.242 | Sawada, H. Residual electron density study of chromium sesquioxide by crystal structure and scattering factor refinement Note: atomic scattering factor refinement Materials Research Bulletin, 1994, 29, 239-245 |
| 9016729 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.347; 12.347; 4.935 90; 90; 120 | 651.539 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 4.30 GPa American Mineralogist, 2012, 97, 872-882 |
| 9016730 | CIF | Au Sb2 | P a -3 | 6.6583; 6.6583; 6.6583 90; 90; 90 | 295.182 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9016731 | CIF | Al Ca0.008 K0.334 Na0.686 O8 Si3 | C -1 | 8.29; 12.966; 7.151 91.18; 116.31; 90.14 | 688.819 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Sample: Or = 32.5, T = 23 C American Mineralogist, 1982, 67, 975-996 |
| 9016732 | CIF | Al K0.334 Na0.694 O8 Si3 | C 1 2/m 1 | 8.3482; 12.98; 7.1582 90; 116.109; 90 | 696.51 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Note: Or = 32.5, T = 400 C American Mineralogist, 1982, 67, 975-996 |
| 9016733 | CIF | Al Ca0.069 K0.224 Na0.71 O8 Si3 | C -1 | 8.252; 12.936; 7.139 92.11; 116.32; 90.22 | 682.434 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Note: Or = 22.3, T = 23 C American Mineralogist, 1982, 67, 975-996 |
| 9016734 | CIF | Al Ca0.069 K0.224 Na0.71 O8 Si3 | C 1 2/m 1 | 8.314; 12.973; 7.15 90; 116.135; 90 | 692.335 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Note: Or = 22.3, T = 510 C American Mineralogist, 1982, 67, 975-996 |
| 9016735 | CIF | Al Ca0.026 K0.141 Na0.856 O8 Si3 | C -1 | 8.2168; 12.9166; 7.127 92.754; 116.357; 90.239 | 676.721 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Note: Or = 13.8, T = 23 C American Mineralogist, 1982, 67, 975-996 |
| 9016736 | CIF | Al K0.141 Na0.882 O8 Si3 | C 1 2/m 1 | 8.321; 12.969; 7.148 90; 116.05; 90 | 693.013 | Harlow, G. E. The anorthoclase structures: The effects of temperature and composition Note: Or = 13.8, T = 750 C American Mineralogist, 1982, 67, 975-996 |
| 9016737 | CIF | Ca O4 S | P 62 2 2 | 6.9694; 6.9694; 6.3033 90; 90; 120 | 265.149 | Lager, G. A.; Armbruster, T.; Rotella, F. J.; Jorgensen, J. D.; Hinks, D. G. A crystallographic study of the low-temperature dehydration products of gypsum CaSO4*2H2O: hemihydrate CaSO4*0.50H2O, and gamma-CaSO4 Note: gamma-CaSO4 American Mineralogist, 1984, 69, 910-918 |
| 9016738 | CIF | H6 Na3.61 O12 S3 Sb7 | P 63 | 14.152; 14.152; 5.5758 90; 90; 120 | 967.105 | Sabelli, C.; Nakai, I.; Katsura, S. Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) Sample: Synthetic Na analogue American Mineralogist, 1988, 73, 398-404 |
| 9016739 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.544; 13.01; 7.194 90; 115.99; 90 | 718.797 | Deubener, J.; Sternitzke, M.; Mueller, G. Feldspars MAlSi3O8 (M=H,Li,Ag) synthesized by low-temperature ion exchange American Mineralogist, 1991, 76, 1620-1627 |
| 9016742 | CIF | Al K0.85 Na0.15 O8 Si3 | C 1 2/m 1 | 8.539; 13.015; 7.179 90; 115.99; 90 | 717.154 | Phillips, M. W.; Ribbe, P. H. The structures of monoclinic potassium-rich feldspars American Mineralogist, 1973, 58, 263-270 |
| 9016743 | CIF | Al1.02 K0.88 Na0.12 O8 Si2.98 | C 1 2/m 1 | 8.545; 12.967; 7.201 90; 116; 90 | 717.141 | Phillips, M. W.; Ribbe, P. H. The structures of monoclinic potassium-rich feldspars Note: variety adularia American Mineralogist, 1973, 58, 263-270 |
| 9016744 | CIF | Al K0.86 Na0.1 O8 Si3 | C 1 2/m 1 | 8.5632; 12.963; 7.2099 90; 116.073; 90 | 718.887 | Prince, E.; Donnay, G.; Martin, R. F. Neutron diffraction refinement of an ordered orthoclase structure American Mineralogist, 1973, 58, 500-507 |
| 9016746 | CIF | Cu1.77 H7 O9 P Zn1.23 | P 1 21/a 1 | 9.8275; 10.2244; 7.5322 90; 103.18; 90 | 736.901 | Ghose, S.; Leo, S. R.; Wan, C. Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution American Mineralogist, 1974, 59, 573-581 |
| 9016747 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.1535; 12.8694; 7.107 93.521; 116.458; 90.257 | 665.95 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 24 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016748 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.1829; 12.8947; 7.119 93.041; 116.352; 90.172 | 671.866 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 350 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016749 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.2096; 12.9182; 7.1284 92.482; 116.282; 90.128 | 677.011 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 600 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016750 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.2296; 12.9336; 7.1357 91.956; 116.232; 90.078 | 680.78 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 750 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016751 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.2508; 12.9489; 7.1431 91.161; 116.169; 90.03 | 684.755 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 950 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016752 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.2763; 12.9593; 7.1463 90.097; 116.092; 89.988 | 688.363 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 1090 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016753 | CIF | Al Ca0.012 K0.005 Na0.983 O8 Si3 | C -1 | 8.2783; 12.9592; 7.1452 90.056; 116.087; 89.997 | 688.448 | Prewitt, C. T.; Sueno, S.; Papike, J. J. The crystal structures of high albite and monalbite at high temperatures T = 1105 deg C feldspar American Mineralogist, 1976, 61, 1213-1225 |
| 9016754 | CIF | Al K0.002 Na0.998 O8 Si3 | C -1 | 8.161; 12.875; 7.11 93.53; 116.46; 90.24 | 667.122 | Winter, J. K.; Okamura, F. P.; Ghose, S. A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 25 C American Mineralogist, 1979, 64, 409-423 |
| 9016755 | CIF | Al K0.002 Na0.998 O8 Si3 | C -1 | 8.208; 12.934; 7.134 92.65; 116.25; 90.12 | 678.316 | Winter, J. K.; Okamura, F. P.; Ghose, S. A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 500 C American Mineralogist, 1979, 64, 409-423 |
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