Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9013911 | CIF | Mn O4 W | P 1 2/c 1 | 4.762; 5.66; 4.9507 90; 91.23; 90 | 133.405 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 5.93 GPa Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013912 | CIF | Cd O4 W | P 1 2/c 1 | 5.028; 5.862; 5.067 90; 91.5; 90 | 149.294 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 0.0001 GPa, in air Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013913 | CIF | Cd O4 W | P 1 2/c 1 | 5.031; 5.8573; 5.0709 90; 91.5; 90 | 149.378 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 0.0001 GPa, in diamond anvil cell Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013914 | CIF | Cd O4 W | P 1 2/c 1 | 5.011; 5.804; 5.05 90; 91.62; 90 | 146.815 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 2.81 GPa Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013915 | CIF | Cd O4 W | P 1 2/c 1 | 4.975; 5.765; 5.037 90; 91.84; 90 | 144.391 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 4.32 GPa Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013916 | CIF | Cd O4 W | P 1 2/c 1 | 4.966; 5.72; 5.025 90; 92.04; 90 | 142.647 | Macavei, J.; Schulz, H. The crystal structure of wolframite type tungstates at high pressure Note: P = 6.37 GPa Zeitschrift fur Kristallographie, 1993, 207, 193-208 |
| 9013917 | CIF | Al2 Ca O4 | P 1 21/c 1 | 7.97187; 8.62844; 10.26276 90; 94.801; 90 | 703.445 | Lazic, B.; Kahlenberg, V.; Konzett, J. Structural studies on a stuffed framework high pressure polymorph of CaAl2O4 Zeitschrift fur Kristallographie, 2007, 222, 690-695 |
| 9013918 | CIF | Ca2 H2.44 K Na2 O26 Si8 | P 1 2/c 1 | 13.704; 6.576; 13.751 90; 105.752; 90 | 1192.67 | Zubkova, N. V.; Pekov, I. V.; Pushcharovsky, D. Y.; Chukanov, N. V. The crystal structure and refined formula of mountainite, KNa2Ca2[Si8O19(OH)]*6H2O Locality: Yubileinaya pegmatite, Lovozero alkaline complex, Kola Peninsula, Russia Zeitschrift fur Kristallographie, 2009, 224, 389-396 |
| 9013919 | CIF | Al2 H4 O9 Si2 | C 1 c 1 | 5.1474; 8.9386; 14.39 90; 96.483; 90 | 657.858 | Bish, D. L.; Johnston, C. T. Rietveld refinement and Fourier-transform infrared spectroscopic study of the dickite structure at low temperature Note: Sample at T = 12 K Clays and Clay Minerals, 1993, 41, 297-304 |
| 9013920 | CIF | Cu I | F -4 3 m | 6.0545; 6.0545; 6.0545 90; 90; 90 | 221.94 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuI-III Physical Review B, 1994, 50, 5868-5885 |
| 9013921 | CIF | Cu I | R -3 m :H | 4.155; 4.155; 20.48 90; 90; 120 | 306.198 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 1.74 GPa Note: known as CuI-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013922 | CIF | Cu I | R -3 m :H | 4.0826; 4.0826; 20.077 90; 90; 120 | 289.803 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 3.60 GPa Note: known as CuI-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013923 | CIF | Cu I | P 4/n m m :1 | 4.0229; 4.0229; 5.6506 90; 90; 90 | 91.448 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.55 GPa Note: known as CuI-V Physical Review B, 1994, 50, 5868-5885 |
| 9013924 | CIF | Cu I | P 4/n m m :1 | 3.968; 3.968; 5.5284 90; 90; 90 | 87.045 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 8.39 GPa Note: known as CuI-V Physical Review B, 1994, 50, 5868-5885 |
| 9013925 | CIF | Cl Cu | F -4 3 m | 5.4202; 5.4202; 5.4202 90; 90; 90 | 159.238 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuCl-II Physical Review B, 1994, 50, 5868-5885 |
| 9013926 | CIF | Cl Cu | P a -3 | 6.4162; 6.4162; 6.4162 90; 90; 90 | 264.14 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.52 GPa Note: known as CuCl-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013927 | CIF | Cl Cu | P a -3 | 6.3104; 6.3104; 6.3104 90; 90; 90 | 251.287 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.24 GPa Note: known as CuCl-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013928 | CIF | Cl Cu | F m -3 m | 4.929; 4.929; 4.929 90; 90; 90 | 119.75 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 10.49 GPa Note: rocksalt structure Note: known as CuCl-V Physical Review B, 1994, 50, 5868-5885 |
| 9013929 | CIF | Br Cu | F -4 3 m | 5.6955; 5.6955; 5.6955 90; 90; 90 | 184.755 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III Physical Review B, 1994, 50, 5868-5885 |
| 9013930 | CIF | Br Cu | F -4 3 m | 5.498; 5.498; 5.498 90; 90; 90 | 166.194 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III Physical Review B, 1994, 50, 5868-5885 |
| 9013931 | CIF | Br Cu | P 4/n m m :1 | 3.9411; 3.9411; 5.0054 90; 90; 90 | 77.745 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: known as CuBr-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013932 | CIF | Br Cu | P 4/n m m :1 | 3.9397; 3.9397; 5.0033 90; 90; 90 | 77.657 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-IV Physical Review B, 1994, 50, 5868-5885 |
| 9013933 | CIF | Br Cu | P a -3 | 6.7378; 6.7378; 6.7378 90; 90; 90 | 305.882 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V Physical Review B, 1994, 50, 5868-5885 |
| 9013934 | CIF | Br Cu | P a -3 | 6.6674; 6.6674; 6.6674 90; 90; 90 | 296.394 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V Physical Review B, 1994, 50, 5868-5885 |
| 9013935 | CIF | Br Cu | F m -3 m | 5.1701; 5.1701; 5.1701 90; 90; 90 | 138.196 | Hull, S.; Keen, D. A. High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.28 GPa Note: rocksalt structure Note: known as CuBr-VI Physical Review B, 1994, 50, 5868-5885 |
| 9013936 | CIF | C5 Ca Na2 O15 Pb3 | P 63 m c | 10.5702; 10.5702; 6.6509 90; 90; 120 | 643.543 | Schluter, J.; Malcherek, T.; Pohl, D. Sanromanite, from the Santa Rosa mine, Atacama desert, Chile, a new mineral of the burbankite group Neues Jahrbuch fur Mineralogie, Abhandlungen, 2007, 183, 117-121 |
| 9013937 | CIF | Bi3 Cu Pb S6 | P b 21 m | 11.15; 11.51; 4.01 90; 90; 90 | 514.629 | Synecek, V.; Hybler, J. The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9, and the classification of superstructures in the bismuthinite-aikinite group, Neues Jahrbuch fur Mineralogie, Monatshefte, 1974, 1974, 541-560 |
| 9013938 | CIF | Bi5 Cu Pb S9 | P b n m | 33.62; 11.48; 4 90; 90; 90 | 1543.83 | Synecek, V.; Hybler, J. The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9, and the classification of superstructures in the bismuthinite-aikinite group, Neues Jahrbuch fur Mineralogie, Monatshefte, 1974, 1974, 541-560 |
| 9013939 | CIF | Al2 H4 O9 Si2 | C 1 c 1 | 5.1375; 8.9178; 14.389 90; 96.74; 90 | 654.679 | Joswig, W.; Drits, V. A. The orientation of the hydroxyl groups in dickite by X-ray diffraction Note: z-coordinate of Si1 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1986, 1986, 19-22 |
| 9013940 | CIF | Be2 Ca0.26 Fe0.13 H2 O10 Si2 Y1.02 Yb0.72 | P 1 21/a 1 | 9.888; 7.607; 4.74 90; 90.45; 90 | 356.522 | Yakubovich, O. V.; Matvinenko, E. N.; Voloshin, A. V.; Simonov, M. A. The crystal structure of hingganite-(Yb), (Y0.51Yb0.36Ca0.13)Fe0.065Be[SiO4](OH) Kristallografiya, 1983, 28, 457-460 |
| 9013941 | CIF | Fe Ni3 | P m -3 m | 3.545; 3.545; 3.545 90; 90; 90 | 44.55 | Ahmed, Z.; Bevan, J. C. Awaruite, iridian awaruite, and a new Ru-Os-Ir-Ni-Fe alloy from the Sakhakot-Qila complex, Malakand-Agency, Pakistan Mineralogical Magazine, 1981, 44, 225-230 |
| 9013942 | CIF | Cu3 H4 Mo O8 | P n n m | 8.5201; 12.545; 6.0794 90; 90; 90 | 649.795 | Burns, P. C. The crystal structure of szenicsite, Cu3MoO4(OH)4 Mineralogical Magazine, 1998, 62, 461-469 |
| 9013943 | CIF | Cl2 Cu3 H6 O6 Zn | R -3 m :H | 6.834; 6.834; 14.075 90; 90; 120 | 569.284 | Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M. Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Generosa mine, Sierra Gorda, Chile Mineralogical Magazine, 2004, 68, 527-539 |
| 9013944 | CIF | Cl2 Cu3 H6 O6 Zn | R -3 :H | 6.834; 6.834; 14.075 90; 90; 120 | 569.284 | Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M. Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Mina Los Tres Presidentes, Sierra Gorda, Chile Mineralogical Magazine, 2004, 68, 527-539 |
| 9013945 | CIF | Cl3 I O4 Pb3 | C m m 2 | 7.971; 7.976; 27.341 90; 90; 90 | 1738.25 | Bindi, L.; Welch, M. D.; Bonazzi, P.; Pratesi, G.; Menchetti, S. The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from the San Rafael mine, Sierra Gorda, Chile Locality: San Rafael mine, Sierra Gorda, Chile Mineralogical Magazine, 2008, 71, 771-783 |
| 9013946 | CIF | Cu3 H2 O8 Pb Te | F d d 2 | 5.7491; 10.0176; 24.022 90; 90; 90 | 1383.48 | Cooper, M. A.; Hawthorne, F. C.; Back, M. E. The crystal structure of khinite and polytypism in khinite and parakhinite Locality: the Empire mine, Tombstone, Arizona, USA Mineralogical Magazine, 2008, 72, 763-770 |
| 9013948 | CIF | Br0.81 Cl1.19 Hg11 I2 O4 | A -1 | 7.0147; 11.8508; 12.5985 115.583; 82.575; 100.619 | 926.998 | Cooper, M. A.; Hawthorne, F. C. The crystal structure of tedhadleyite, Hg2+Hg1+10O4I2(Cl,Br)2. from the Clear Creek Claim, San Benito County, California Mineralogical Magazine, 2009, 73, 227-234 |
| 9013949 | CIF | Cu H9 O15.67 Pb5 S6 | P 1 21/n 1 | 12.5631; 8.8963; 18.0132 90; 96.459; 90 | 2000.47 | Cooper, M. A.; Hawthorne, F. C.; Moffatt, E. Steverustite, Pb5(OH)5[Cu(SO3S)3](H2O)2, a new thiosulphate mineral from the Frongoch mine dump, Devils Bridge, Ceredigion, Wales: description and crystal structure Locality: Frongoch mine dump, Devils Bridge, Ceredigion, Wales Mineralogical Magazine, 2009, 73, 235-250 |
| 9013950 | CIF | Al0.04 As2.98 Ca0.02 Cd2.89 Cu0.44 H8.68 Mn0.52 O20 P1.02 Pb0.04 Zn1.05 | C 1 2/c 1 | 18.062; 9.341; 9.844 90; 96.17; 90 | 1651.23 | Elliott, P.; Turner, P.; Jensen, P.; Kolitsch, U.; Pring, A. Description and crystal structure of nyholmite, a new mineral related to hureaulite, from Broken Hill,New South Wales, Australia Locality: Broken Hill, New South Wales, Australia Mineralogical Magazine, 2009, 73, 723-735 |
| 9013951 | CIF | Al0.04 Ba1.28 Ca0.4 Fe0.06 H20 K0.3 Mn1.44 Na4.2 Nb1.43 O42 Si8 Sr0.5 Ti4.14 | P -1 | 5.447; 7.157; 47.259 97.759; 92.136; 89.978 | 1824.2 | Camara, F.; Sokolova, E. From structure topology to chemical composition. X. Titanium silicates: the crystal structure and crystal chemistry of nechelyustovite, a group III Ti-disilicate mineral Locality: hydrothermally altered pegmatite, Kirovskii mine, Mt Kukisvumchorr, Khibina alkaline massif, Kola peninsula, Russia Mineralogical Magazine, 2009, 73, 753-775 |
| 9013952 | CIF | Al1.18 Ca0.02 F1.4 Fe1.04 H0.6 K0.86 Li0.91 Mg1.76 Mn0.09 Na3.12 O22.6 Si7.96 Ti0.02 Zn0.04 | C 1 2/m 1 | 9.7043; 17.7341; 5.2833 90; 104.067; 90 | 881.974 | Oberti, R.; Camara, F.; Hawthorne, F. C.; Ball, N. A. Fluoro-aluminoleakeite, NaNa2(Mg2Al2Li)Si8O22F2, a new mineral of the amphibole group from Norra Karr, Sweden: description and crystal structure Mineralogical Magazine, 2009, 73, 817-824 |
| 9013953 | CIF | Al0.08 Ba5.22 Ca0.58 F6.02 Fe10.08 H7.98 K0.68 Mg0.16 Mn5.12 Na2.58 Nb0.48 O71.98 Si16 Ti7.44 Zr0.16 | C -1 | 10.6965; 13.7861; 21.478 99.345; 92.315; 89.993 | 3122.56 | Camara, F.; Sokolova, E.; Nieto, F. Camaraite, Ba3NaTi4(Fe2+,Mn)8(Si2O7)4O4(OH,F)7. II. The crystal structure and crystal chemistry of a new group-II Ti-disilicate mineral Locality: the Verkhnee Espe alkaline deposit, Akjailyautas Mountains, Kazakhstan Mineralogical Magazine, 2009, 73, 855-870 |
| 9013954 | CIF | Cd1.89 Cu3 H22.02 O18 S2 Zn0.11 | P 1 21/c 1 | 10.863; 13.129; 11.169 90; 113.04; 90 | 1465.86 | Elliot, P.; Brugger, J.; Caradoc-Davies T Description and crystal structure of a new mineral, edwardsite, Cu3Cd2(SO4)2(OH)6·4H2O, from Broken Hill, New South Wales, Australia Mineralogical Magazine, 2010, 74, 39-53 |
| 9013955 | CIF | Ag4.925 Cu3.075 S4 | P n m a | 14.047; 7.805; 15.691 90; 90; 90 | 1720.31 | Kolitsch, U. The crystal structure and compositional range of mckinstryite Mineralogical Magazine, 2010, 74, 73-84 |
| 9013956 | CIF | Ca3.548 Ce1.299 F1.41 H0.63 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 | P -3 | 9.51; 9.51; 7.01 90; 90; 120 | 549.047 | Rastsvetaeva, R. F.; Khomyakov, A. P. Crystal structure of deloneite-(Ce), high ordered Ca analogue of belovite Doklady Akademii Nauk SSSR, 1996, 349, 354-357 |
| 9013957 | CIF | Co0.005 Cu0.08 Fe0.91 Ir2.913 Ni0.005 Os0.003 Pt0.072 Rh0.012 | P m -3 m | 3.792; 3.792; 3.792 90; 90; 90 | 54.526 | Zuxiang, Y. Chengdeite - ordered natural iron-iridium alloy Acta Geologica Sinica, 1995, 69, 215-220 |
| 9013958 | CIF | Bi4 S3 | R -3 m :H | 4.15; 4.15; 39.19 90; 90; 120 | 584.524 | Kato, A. Ikunolite, a new bismuth mineral from the Ikuno mine, Japan Mineralogical Journal, 1959, 2, 397-407 |
| 9013959 | CIF | Ca Fe3 O5 | C m c m | 3.021; 10.009; 12.643 90; 90; 90 | 382.289 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013960 | CIF | Ca Fe4 O6 | C m c m | 3.05; 9.986; 15.321 90; 90; 90 | 466.636 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013961 | CIF | Ca Fe5 O7 | C m c m | 3.052; 10.041; 17.966 90; 90; 90 | 550.57 | Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R. Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance Journal of Solid State Chemistry, 1980, 35, 112-119 |
| 9013962 | CIF | Cu3 H4 O8 S | P n m a | 8.289; 6.079; 12.057 90; 90; 90 | 607.538 | Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M. Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2, Journal of Solid State Chemistry, 2003, 170, 255-264 |
| 9013963 | CIF | Al1.05 Ca3 Fe0.93 O12 Si0.93 Zr2 | I a -3 d | 12.5122; 12.5122; 12.5122 90; 90; 90 | 1958.85 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013964 | CIF | Al0.48 Ca3 Fe1.44 O12 Si0.81 Zr2 | I a -3 d | 12.5844; 12.5844; 12.5844 90; 90; 90 | 1992.95 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013965 | CIF | Ca3 Fe1.95 O12 Si0.93 Zr2 | I a -3 d | 12.6164; 12.6164; 12.6164 90; 90; 90 | 2008.2 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013966 | CIF | Al1.23 Ca3 Fe0.99 Hf2 O12 Si0.99 | I a -3 d | 12.5145; 12.5145; 12.5145 90; 90; 90 | 1959.93 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013967 | CIF | Ca3 Fe2.16 Hf2 O12 Si0.99 | I a -3 d | 12.5898; 12.5898; 12.5898 90; 90; 90 | 1995.52 | Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J. The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic Journal of Solid State Chemistry, 2007, 180, 785-791 |
| 9013968 | CIF | C0.38 H6.92 As0.3 Mg6.68 O18.62 P3.32 | P 63 m c | 12.467; 12.467; 5.0437 90; 90; 120 | 678.897 | Raade, G.; Romming, C.; Medenbach, O. Carbonate-substituted phosphoellenbergerite from Modum, Norway: description and crystal structure Mineralogy and Petrology, 1998, 62, 89-101 |
| 9013969 | CIF | C3 K4 O11 U | C 1 2/c 1 | 10.247; 9.202; 12.226 90; 95.11; 90 | 1148.24 | Anderson, A.; Chieh, C.; Irish, D. E.; Tong, J. P. K. An X-ray crystallographic, Raman, and infrared spectral study of crystalline potassium uranyl carbonate, K4UO2(CO3)3 Canadian Journal of Chemistry, 1980, 58, 1651-1658 |
| 9013970 | CIF | Mn Si | P 21 3 | 4.5559; 4.5559; 4.5559 90; 90; 90 | 94.563 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013971 | CIF | Mn Si | P 21 3 | 4.55613; 4.55613; 4.55613 90; 90; 90 | 94.578 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013972 | CIF | Mn Si | P 21 3 | 4.55643; 4.55643; 4.55643 90; 90; 90 | 94.596 | Jorgensen, J. E.; Rasmussen, S. E. Refinement of the structure of MnSi by powder diffraction Powder Diffraction, 1991, 6, 194-195 |
| 9013973 | CIF | Cl2 Hg7 O3 | P b m a | 11.777; 13.891; 6.46 90; 90; 90 | 1056.82 | Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C. Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure Powder Diffraction, 1996, 11, 45-50 |
| 9013974 | CIF | Ca2.5 H11 O12.5 Si3 | B 1 1 b | 6.735; 7.425; 27.987 90; 90; 123.25 | 1170.43 | Bonaccorsi, E.; Merlino, S. The crystal of tobermorite 14 A (plombierite) a CSH phase Journal of the American Ceramic Society, 2005, 88, 505-512 |
| 9013975 | CIF | Mn Ni6 O8 | F m -3 m | 8.32; 8.32; 8.32 90; 90; 90 | 575.93 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.0 Solid State Communications, 1998, 108, 635-639 |
| 9013976 | CIF | Mn0.8 Ni6.4 O8 | F m -3 m | 8.3271; 8.3271; 8.3271 90; 90; 90 | 577.406 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.2 Solid State Communications, 1998, 108, 635-639 |
| 9013977 | CIF | Mn0.6 Ni6.8 O8 | F m -3 m | 8.3368; 8.3368; 8.3368 90; 90; 90 | 579.426 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.4 Solid State Communications, 1998, 108, 635-639 |
| 9013978 | CIF | Mn0.4 Ni7.2 O8 | F m -3 m | 8.343; 8.343; 8.343 90; 90; 90 | 580.72 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.6 Solid State Communications, 1998, 108, 635-639 |
| 9013979 | CIF | Mn0.2 Ni7.6 O8 | F m -3 m | 8.3495; 8.3495; 8.3495 90; 90; 90 | 582.078 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.8 Solid State Communications, 1998, 108, 635-639 |
| 9013980 | CIF | Ni0.995 O | F m -3 m | 8.3532; 8.3532; 8.3532 90; 90; 90 | 582.852 | Taguchi, H. Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 1.0 Solid State Communications, 1998, 108, 635-639 |
| 9013981 | CIF | Ca3.3 Ce0.3 F0.667 H0.333 Na0.3 O12.333 P3 Sr1.1 | P 63 | 9.485; 9.485; 7 90; 90; 120 | 545.385 | Rastsvetaeva, R. K.; Khomyakov, A. P. Structural features of a new naturally occurring representative of the fluorapatite-deloneite series Crystallography Reports, 1996, 41, 789-792 |
| 9013982 | CIF | Al2 Be2 Cs0.75 H6 Li Na0.226 O18.285 Si6 | R -3 c :H | 15.955; 15.955; 27.81 90; 90; 120 | 6130.91 | Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Sakavalana granitic pegmatite, Antsirabe, Fianarantsoa Province, Madagascar Note: T = 100 K Crystallography Reports, 2009, 54, 399-412 |
| 9013983 | CIF | Al2 Be2.34 Cs0.079 H2 Li0.66 Na0.419 O18.19 Si6 | P 6/m c c | 9.2101; 9.2101; 9.2179 90; 90; 120 | 677.16 | Yakubivich, O. V.; Pekov, I. V.; Steele, I. M.; Massa, W.; Chukanov, N. V. Alkali metals in beryl and their role in the formation of derivative structural motifs: Comparative crystal chemistry of vorobyevite and pezzottaite Locality: Lipovka pegmatite field, Rezh District, Central Urals, Urals Region, Russia Note: T = 100 K Note: variety vorobyevite Note: Coordinates of O1 and O2 corrected by Yakubivich Crystallography Reports, 2009, 54, 399-412 |
| 9013984 | CIF | Ca3 H6 O10 Si2 | P 1 | 16.33; 5.6389; 11.685 90.08; 126.446; 89.95 | 865.546 | Rastsvetaeva, R. K.; Chukanov, N. V.; Zadov, A. E. Refined structure of afwillite from the northern Baikal region Crystallography Reports, 2009, 54, 418-422 |
| 9013985 | CIF | Al0.26 Be2 Ca Fe0.97 H8.5 Mg1.61 Mn0.18 O17 P3 | C 1 2/c 1 | 15.876; 11.86; 6.607 90; 95.49; 90 | 1238.32 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Chukanov, N. V.; Mockel, S. The crystal structure of an iron-rich variety of zanazziite belonging to heteropolyhedral framework roscherite-group beryllophosphates Crystallography Reports, 2009, 54, 568-571 |
| 9013986 | CIF | Ca10.381 O28 P7 Th0.119 | R 3 c :H | 10.4372; 10.4372; 37.4876 90; 90; 120 | 3536.6 | Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S. Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement Crystallography Reports, 2009, 54, 591-597 |
| 9013987 | CIF | C0.5 H6 Al3 Ca0.03 K0.18 Na3.53 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Enraf Nonius diffractometer Crystallography Reports, 2009, 54, 793-799 |
| 9013988 | CIF | C0.5 H6 Al3 Ca0.04 K0.15 Na3.58 O14.25 Si3 | P 63 | 12.688; 12.688; 5.189 90; 90; 120 | 723.437 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Locality: Kovdor massif, Kola Peninsula, Russia Note: Bruker SMART CCD diffractometer Crystallography Reports, 2009, 54, 793-799 |
| 9013989 | CIF | Al3 Ca Cl K0.39 Na2.61 O14 S0.5 Si3 | P 63 | 12.773; 12.773; 5.334 90; 90; 120 | 753.65 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structures of oxalate-bearing cancrinite with an unusual arrangement of CO3 groups and sulfate-rich davyne Crystallography Reports, 2009, 54, 793-799 |
| 9013990 | CIF | Al2 H5 O18 Si3.882 Tm0.935 Y2.115 | P 1 21/n 1 | 5.7551; 14.752; 15.906 90; 96.046; 90 | 1342.9 | Yakbovich, O. V.; Steele, I. M. The crystal structure of vyuntspakhite: a redetermination Crystallography Reports, 2009, 54, 822-830 |
| 9013991 | CIF | Ca2 F O12 P3 Sr3 | P 63 | 9.63; 9.63; 7.22 90; 90; 120 | 579.856 | Klevtsova, R. F. The crystal structure of strontium-apatite Journal of Structural Chemistry, 1964, 5, 318-320 |
| 9013992 | CIF | Ag10.332 As1.602 Cu5.668 S11 Sb0.398 | P -3 m 1 | 7.2567; 7.2567; 11.8193 90; 90; 120 | 539.015 | Bindi, L.; Pekov, I. V. Crystal chemistry of extremely Cu-rich cupropearceite from the Sarbay mine, Northern Kazakhstan Location: Sarbay mine, Northern Kazakhstan Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2009, 138, 44-50 |
| 9013993 | CIF | Fe3 H30 O12.236 S0.5 | P -3 1 m | 5.5241; 5.5241; 11.0113 90; 90; 120 | 291 | Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R. Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic Solid State Sciences, 2003, 5, 327-334 |
| 9013994 | CIF | Mn Si | P 21 3 | 4.548; 4.548; 4.548 90; 90; 90 | 94.072 | Boren, B. Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel Zeitschrift fur Metallkunde, 1957, 48, 126-134 |
| 9013995 | CIF | C H2 Ca4 O10.99 Si1.98 | P 21 21 21 | 3.786; 10.916; 23.379 90; 90; 90 | 966.207 | Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V. Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals Doklady Earth Sciences, 2005, 1347-1351 |
| 9013996 | CIF | C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12 | P 3 1 c | 12.892; 12.892; 21.34 90; 90; 120 | 3071.61 | Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A. Crystal structure of alloriite Doklady Earth Sciences, 2007, 415, 815-819 |
| 9013997 | CIF | H18 Na4 O19 Si4 | P 1 21/c 1 | 9.8744; 12.3981; 14.8973 90; 104.675; 90 | 1764.29 | Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Kazantsev, S. S. Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O Doklady Earth Sciences, 2009, 427, 814-818 |
| 9013998 | CIF | Mn Si | P 21 3 | 4.558; 4.558; 4.558 90; 90; 90 | 94.694 | Lebech, B.; Bernhard, J.; Freltoft, T. Magnetic structures of cubic FeGe studied by small-angle neutron scattering Journal of Physics: Condensed Matter, 1989, 1, 6105-6122 |
| 9013999 | CIF | As0.02 Cu0.94 H O5 P0.98 Zn1.06 | P n n m | 8.323; 8.251; 5.861 90; 90; 90 | 402.493 | Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T. Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010 Australian Journal of Mineralogy, 2006, 12, 3-7 |
| 9014000 | CIF | Cu H6 O14 Pb4 S2 | P -1 | 5.796; 7.9471; 7.9836 111.994; 97.765; 100.426 | 326.939 | Mereiter, K. Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note: Crystal is from the Paar et al (1986) mineral description paper Private communication, 2009 |
| 9014001 | CIF | Ba Fe12 O19 | P 63/m m c | 5.9291; 5.9281; 23.407 90; 90; 120 | 712.493 | Collomb, A.; Wolfers, P.; Obradors, X. Neutron diffraction studies of some hexagonal ferrites: BaFe12O19, BaMg2-W and CaCo2-W Note: T = 470 C, neutron, refined with Rietveld Journal of Magnetism and Magnetic Materials, 1986, 62, 57-67 |
| 9014002 | CIF | Cl O12 Pb5 V3 | P 63/m | 10.299; 10.299; 7.308 90; 90; 120 | 671.304 | Laufek, F.; Skala, R.; Haloda, J.; Cisarova, I. Crystal structure of vanadinite: refinement of anisotropic displacement parameters Locality: Mibladen, Morocco Journal of the Czech Geological Society, 2006, 51, 271-275 |
| 9014003 | CIF | C H8 B Na O8 | C 1 2 1 | 16.119; 6.928; 6.73 90; 100.46; 90 | 739.066 | Wang, L.; Zhou, K.; Shi, J. Refinement of the qilianshanite structure Geological Review, 1994, 40, 347-353 |
| 9014004 | CIF | C | P 6/m m m | 4.89; 4.89; 3.88 90; 90; 120 | 80.349 | Bucknum, M. J.; Castro, E. A. The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes Journal of Chemical Theory and Computation, 2006, 2, 775-781 |
| 9014005 | CIF | C3 K4 O11 U | C 1 2/c 1 | 10.24; 9.198; 12.222 90; 95.12; 90 | 1146.57 | Han, J. C.; Rong, S. B.; Chen, Q. M.; Wu, X. R. The determination of the crystal structure of tetrapotassium uranyl tricarbonate by powder X-ray diffraction method Locality: synthetic Chinese Journal of Chemistry, 1990, 4, 313-318 |
| 9014006 | CIF | Ni3 Sn | P m -3 m | 3.738; 3.738; 3.738 90; 90; 90 | 52.23 | Cannon, F. C. Effect of high pressure on the structure of AB3-type layered compounds Materials Research Society Symposia Proceedings, 1984, 22, 113-116 |
| 9014009 | CIF | Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 | R 3 m :H | 15.9537; 15.9537; 7.1448 90; 90; 120 | 1574.87 | 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 TK3 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9014010 | CIF | B H3 O3 | P -1 | 7.05; 7.05; 6.57 92.5; 101.17; 120 | 273.621 | Zachariasen, W. H. The crystal lattice of boric acid, BO3H3 Zeitschrift fur Kristallographie, 1934, 88, 150-161 |
| 9014011 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.24; 12.24; 4.843 90; 90; 120 | 628.359 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.63 GPa American Mineralogist, 2012, 97, 872-882 |
| 9014013 | CIF | As0.111 Cu0.889 | P 63/m m c | 2.588; 2.588; 4.226 90; 90; 120 | 24.513 | Heyding, R. D.; Despault, G. J. G. The copper/arsenic system and the copper arsenide minerals Canadian Journal of Chemistry, 1960, 38, 2477-2481 |
| 9014014 | CIF | Al7.167 B3 Ca0.441 F0.681 Fe0.027 H3.318 Li1.278 Mn0.531 Na0.471 O30.318 Pb0.025 Si6 | R 3 m :H | 15.8675; 15.8675; 7.1135 90; 90; 120 | 1551.07 | Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S. Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L11, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
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