Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017926 | CIF | Fe3 O4 | F d -3 m :1 | 8.3941; 8.3941; 8.3941 90; 90; 90 | 591.456 | Fleet, M. E. The structure of magnetite: Symmetry of cubic spinels Note: Sample 633A Journal of Solid State Chemistry, 1986, 62, 75-82 |
| 9017925 | CIF | Fe3 O4 | F d -3 m :1 | 8.3985; 8.3985; 8.3985 90; 90; 90 | 592.387 | Fleet, M. E. The structure of magnetite: Symmetry of cubic spinels Note: Sample 633D Journal of Solid State Chemistry, 1986, 62, 75-82 |
| 9017924 | CIF | Fe3 O4 | F d -3 m :1 | 8.3941; 8.3941; 8.3941 90; 90; 90 | 591.456 | Fleet, M. E. The structure of magnetite: Symmetry of cubic spinels Note: Sample 633C Journal of Solid State Chemistry, 1986, 62, 75-82 |
| 9017923 | CIF | Fe3 O4 | F d -3 m :1 | 8.3969; 8.3969; 8.3969 90; 90; 90 | 592.048 | Fleet, M. E. The structure of magnetite: Symmetry of cubic spinels Note: Sample 633,MT1B, annealed at 1373 K Journal of Solid State Chemistry, 1986, 62, 75-82 |
| 9017922 | CIF Paper | Cl4 Cu O12 Pb5 Se4 | C 1 2/c 1 | 24.917; 5.506; 14.242 90; 101.77; 90 | 1912.82 | Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography Acta Crystallographica Section B, 2012, 68, 15-23 |
| 9017920 | CIF | Fe2.68 H28 O30 S4 | P -1 | 6.448; 15.248; 6.307 90.14; 100.93; 94.12 | 607.195 | Wang, Q.; Li, W. Crystal structure of a new ferric sulfate mineral Kexue Tongbao, 1988, 33, 1783-1787 |
| 9017919 | CIF | Fe2.937 H28 Mg0.063 O30 S4 | P -1 | 6.4512; 15.3227; 6.3253 90.131; 100.9; 85.966 | 612.414 | Mauro, D.; Biagioni, C.; Pasero, M.; Zaccarini, F. Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). II. Crystal structure and hydrogen bonding system of romerite, Fe2+Fe3+2(SO4)4(H2O)14 Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2019, 125, 5-11 |
| 9017918 | CIF | Fe3 H28 O30 S4 | P -1 | 6.4274; 15.249; 6.3464 89.72; 100.79; 85.96 | 609.4 | Westland, R. E. New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite Master's, 2012 |
| 9017917 | CIF | Fe2 H22 O23 S3 | P -1 | 6.1741; 23.5062; 6.5282 85.633; 101.553; 83.745 | 918.034 | Westland, R. E. New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite Master's, 2012 |
| 9017916 | CIF | Fe H5 O7 S | P 21 21 21 | 7.2226; 7.393; 20.0542 90; 90; 90 | 1070.83 | Plasil, J.; Petricek, V.; Majzlan, J. A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O Acta Crystallographica, Section B, 2017, 73, 856-862 |
| 9017915 | CIF | Al0.38 Fe1.621 H18 O21 S3 | P -3 1 c | 10.9344; 10.9344; 17.09 90; 90; 120 | 1769.55 | Yang, Z.; Giester, G. Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China European Journal of Mineralogy, 2018, 30, 849-858 |
| 9017914 | CIF | Al0.062 Fe1.938 H18 O21 S3 | R -3 :H | 10.9631; 10.9631; 51.473 90; 90; 120 | 5357.68 | Yang, Z.; Giester, G. Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China European Journal of Mineralogy, 2018, 30, 849-858 |
| 9017913 | CIF | Fe H7 O8 S | P -1 | 8.935; 11.631; 6.661 95.58; 90.28; 97.28 | 683.293 | Giacovazzo, C.; Menchetti, S. Sulla struttura della amarantite Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1969, 25, 399-406 |
| 9017912 | CIF | Fe H15 Mg0.773 Mn0.047 O16 S2 Zn0.165 | P 1 21/n 1 | 10.4983; 17.8372; 7.1154 90; 100.125; 90 | 1311.68 | Majzlan, J.; Plasil, J.; Dachs, E.; Benisek, A.; Koch, C. B. Crystal chemistry, Mossbauer spectroscopy. and thermodynamic properties of botryogen Neues Jahrbuch fur Mineralogie, Abhandlungen, 2016, 193, 147-159 |
| 9017911 | CIF | Fe H7 O8 S | P -1 | 8.976; 11.678; 6.698 95.65; 90.36; 97.2 | 693.052 | Susse, P. Crystal structure of amarantite Naturwissenschaften, 1967, 54, 642-643 |
| 9017910 | CIF | C H27 Al0.89 B0.94 Ca3 O25 S0.06 Si0.11 | P 63 | 11.0459; 11.0459; 10.61502 90; 90; 120 | 1121.64 | Nishio-Hamane D; Ohnishi, M.; Momma, K.; Shimobayashi, N.; Miyawaki, R.; Minakawa, T.; Inaba, S. Imayoshiite, Ca3Al(CO3)[B(OH)4](OH)6*12H2O, a new mineral of the ettringite group from Ise City, Mie Prefecture, Japan Mineralogical Magazine, 2015, 79, 413-423 |
| 9017909 | CIF | Fe2 H16 O17 S2 | P -1 | 9.1428; 10.9346; 7.2168 90.547; 90.612; 107.375 | 688.463 | Ventruti, G.; Ventura, G. D.; Orlando, R.; Scordari, F. Structure refinement, hydrogen-bond system and vibrational spectroscopy of hohmannite, Fe3+2[O(SO4)2]*8H2O Mineralogical Magazine, 2015, 79, 11-24 |
| 9017908 | CIF | Ag0.42 Cu6.678 Hg2.922 Sb4 Se12.576 | I -4 3 m | 10.9636; 10.9636; 10.9636 90; 90; 90 | 1317.83 | Skacha, P.; Sejkora, J.; Plasil, J.; Makovicky, E. Posepnyite, a new Hg-rich member of the tetrahedrite group from Pribram, Czech Republic Journal of Geosciences, 2020, 65, 173-186 |
| 9017907 | CIF | C19 O8 | P 21 21 21 | 9.837; 10.517; 18.7594 90; 90; 90 | 1940.77 | Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J. Structure, absolute configuration, and conformation of the antimalarial drug artesunate Journal of Chemical Crystallography, 2002, 32, 43-48 |
| 9017906 | CIF | As5.79 Fe0.15 Ni14.25 Sb0.06 | P 63 c m | 6.7922; 6.7922; 12.4975 90; 90; 120 | 499.315 | Bindi, L.; Tredoux, M.; Zaccarini, F.; Miller, D. E.; Garuti, G. Non-stoichiometric nickel arsenides in nature: The structure of orcelite, Ni5-xAs2 (x = 0.25), from the Bon Accord oxide body, South Africa Journal of Alloys and Compounds, 2014, 601, 175-178 |
| 9017905 | CIF | C4 H6 N4 O3 | P 1 21/c 1 | 8.0004; 5.1487; 14.7501 90; 92.908; 90 | 606.799 | Xu, B.; Sung, C.; Han, B. Crystal structure characterization of natural allantoin from edible lichen Umbilicaria esculenta Note: T = 232 K Crystals, 2011, 1, 128-135 |
| 9017904 | CIF | Fe H14.1 K4 Na10 O50.3 Si16 | C m c m | 28.866; 10.707; 17.425 90; 90; 90 | 5385.51 | Panikorovskii, T. L.; Pekov, I. V.; Krzhizhanovskaya, M. G.; Yakovenchuk, V. N.; Britven, S. N.; Gurzhiy, V. V.; Bocharov, V. N.; Yapaskurt, V. O.; Krivovichev, S. V. Tiettaite K4Na12Fe3+Si16O41(OH)4·2H2O: A mineral with a novel type of microporous heteropolyhedral framework Crystallography Reports, 2021, 66, 76-85 |
| 9017903 | CIF | H2 Mn O5 S | C 1 2/c 1 | 7.124; 7.663; 7.764 90; 115.85; 90 | 381.436 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017902 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.075; 7.541; 7.6 90; 116.183; 90 | 363.873 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017901 | CIF | H2 O5 S Zn | C 1 2/c 1 | 6.93; 7.584; 7.503 90; 116.233; 90 | 353.721 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017900 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.827; 7.595; 7.4 90; 116.892; 90 | 342.205 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017899 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.963; 7.58; 7.47 90; 116.358; 90 | 353.275 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017898 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.963; 7.58; 7.47 90; 116.358; 90 | 353.275 | Le Fur, Y.; Coing-Boyat J; Bassi, G. Structure des sulfates monohydrates, monocliniques, des metaux de transition, MSO4*H2O (M = Mn, Fe, Co, Ni et Zn) Comptes Rendus de l'Academie des Sciences Paris, 1966, 632-635 |
| 9017897 | CIF | Fe0.038 Mg1.962 O4 Si | P m m a | 5.802; 2.905; 8.411 90; 90; 90 | 141.766 | Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y. Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites Communications Earth & Environment, 2021, 2 |
| 9017895 | CIF | Fe2 O12 S3 | R -3 :H | 8.229; 8.229; 22.177 90; 90; 120 | 1300.55 | Masse, R.; Guitel, J. C.; Perret, R. Structure crystalline de la variete rhomboedrique du sulfate ferrique Fe2(SO4)3 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie, 1973, 96, 346-349 |
| 9017894 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.891; 7.624; 7.549 90; 116.25; 90 | 355.701 | Coing-Boyat J Remarques sur la structure commune de MgSO4*H2O et de CoSO4*H2O Bulletin de la Societe Chimique de France, 1971, 1971, 3863-3865 |
| 9017893 | CIF | As1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664 | I m m a | 25.77; 7.325; 10.522 90; 90; 90 | 1986.19 | Grey, I. E.; Mumme, G.; Kampf, A. R.; MacRae, C. M.; Wilson, N. C. Natrowalentaite, a new mineral from the Griffins Find gold deposit, Western Australia Note: T = 100 K Australian Journal of Mineralogy, 2019, 20, 7-15 |
| 9017892 | CIF | Fe0.17 H14 Mg0.83 O11 S | P 21 21 21 | 11.8664; 12.015; 6.8598 90; 90; 90 | 978.035 | Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H. Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2019, 126, 33-44 |
| 9017891 | CIF | Al F Fe0.02 H34 Mg0.98 O25 S2 | P -1 | 6.6749; 6.773; 14.9076 79.604; 80.163; 62.475 | 584.9 | Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H. Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2019, 126, 33-44 |
| 9017890 | CIF | Ag10.96 Te7 | P -6 | 13.454; 13.454; 8.459 90; 90; 120 | 1326.03 | Bindi, L.; Keutsch, F. N. Old defined minerals with complex, still unresolved structures: the case of stutzite, Ag5-xTe3 Note: type sample Zeitschrift fur Kristallographie, 2018, 233, 247-253 |
| 9017889 | CIF | O | C 1 2/m 1 | 7.97; 5.633; 3.711 90; 116.3; 90 | 149.359 | Datchi, F.; Weck, G. X-ray crystallography of simple molecular solids up to megabar pressures: application to solid oxygen and carbon dioxide Zeitschrift fur Kristallographie, 2014, 229, 135-157 |
| 9017888 | CIF | As0.745 Pb0.98 S4 Sb1.275 | P 1 21/n 1 | 7.997; 19.517; 8.634 90; 91.061; 90 | 1347.34 | Makovicky, E.; Topa, D. Twinnite, Pb0.8Tl0.1Sb1.3As0.8S4, the OD character and the question of its polytypism Zeitschrift fur Kristallographie, 2012, 227, 468-475 |
| 9017887 | CIF | Ca4 H16 O16 Si2 | C 1 2/m 1 | 16.907; 3.6528; 13.068 90; 117.25; 90 | 717.483 | Zubkova, N. V.; Pekov, I. V.; Pushcharovsky, D. Y.; Zadov, A. E.; Chukanov, N. V. The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O Zeitschrift fur Kristallographie, 2012, 227, 452-455 |
| 9017886 | CIF | Fe H7 O8 S | P -1 | 6.6559; 8.9161; 11.6069 97.221; 95.655; 90.412 | 679.885 | Majzlan, J.; Dachs, E.; Benisek, A.; Plasil, J.; Sejkora, J. Thermodynamics, crystal chemistry and structural complexity of the Fe(SO4)(OH)(H2O)x phases: Fe(SO4)(OH), metahohmannite, butlerite, parabutlerite, amarantite, hohmannite, and fibroferrite European Journal of Mineralogy, 2018, 30, 259-275 |
| 9017885 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.97; 7.595; 7.632 90; 118.58; 90 | 354.787 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017884 | CIF | Co0.858 H2 Mg0.142 O5 S | C 1 2/c 1 | 6.963; 7.601; 7.633 90; 118.5; 90 | 355.027 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017883 | CIF | Co0.509 H2 Mg0.491 O5 S | C 1 2/c 1 | 6.943; 7.614; 7.639 90; 118.33; 90 | 355.461 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.49Co0.51 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017882 | CIF | Co0.279 H2 Mg0.721 O5 S | C 1 2/c 1 | 6.929; 7.623; 7.641 90; 118.19; 90 | 355.724 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.76Co0.28 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017881 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.91; 7.634; 7.643 90; 118; 90 | 355.983 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017880 | CIF | C0.216 H2.996 Cr0.43 Mg0.028 O3.146 Zn0.542 | R -3 m :H | 3.1111; 3.1111; 22.6816 90; 90; 120 | 190.122 | Yang, H.; Gibbs, R. B.; Schwenk, C.; Xie, X.; Gu, X.; Downs, R. T.; Evans, S. H. Liudongshengite, Zn4Cr2(OH)12(CO3)*3H2O, a new mineral of the hydrotalcite supergroup, from the 79 mine, Gila County, Arizona, USA The Canadian Mineralogist, 2021, 59, 763-769 |
| 9017879 | CIF | Al2.46 Ba0.8 Ca0.28 Fe8.58 Mg0.88 Mn1.8 Na2.64 O48 P12 | P 1 21/n 1 | 12.7156; 12.3808; 10.9347 90; 97.332; 90 | 1707.37 | Yang, H.; Yong, T.; Downs, R. T. Ferrobobfergusonite, []Na2Fe2+5Fe3+Al(PO4)6, a new mineral of the bobfergusonite group from the Victory mine, Custer County, South Dakota, USA The Canadian Mineralogist, 2021, 59, 617-627 |
| 9017878 | CIF | Ca0.41 Fe0.05 H8 Mn1.95 O17 Si4 Sr1.59 | C 1 2 1 | 9.1575; 6.2857; 12.0431 90; 91.744; 90 | 692.895 | Yang, H.; Gu, X.; Cairncross, B.; Downs, R. T.; Evans, S. H. Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa The Canadian Mineralogist, 2021, 59, 431-444 |
| 9017877 | CIF | Ca0.81 Fe0.1 H8 Mn1.9 O17 Si4 Sr1.19 | C 1 | 9.1386; 6.2566; 12.0043 90.019; 91.643; 89.9 | 686.081 | Yang, H.; Gu, X.; Cairncross, B.; Downs, R. T.; Evans, S. H. Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa The Canadian Mineralogist, 2021, 59, 431-444 |
| 9017876 | CIF | Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 | P 63 | 9.3667; 9.3667; 7.6173 90; 90; 120 | 578.769 | Missen, O. P.; Back, M. E.; Mills, S. J.; Roberts, A. C.; LePage, Y.; Pinch, W. W.; Mandarino, J. A. Crystal chemistry of zemannite-type structures: III. Keystoneite, the Ni2±analogue of zemannite, and ferrotellurite discredited The Canadian Mineralogist, 2021, 59, 355-364 |
| 9017875 | CIF | Al0.04 Ba1.16 Ca0.55 F2.62 Fe2.56 H3.38 K0.82 Mg0.08 Mn5.04 Na1.42 Nb0.32 O35.38 Rb0.06 Si8 Ti3.68 Zn0.16 Zr0.04 | C -1 | 10.741; 13.841; 11.079 108.174; 99.186; 89.99 | 1542.67 | Sokolova, E.; Day, M. C.; Hawthorne, F. C.; Agakhanov, A. A.; Camara, F.; Uvarova, Y. A.; Della Ventura, G. From structure topology to chemical composition. XXIX. Revision of the crystal structure of perraultite, NaBaMn4Ti2(Si2O7)2O2(OH)2F, a seidozerite-supergroup TS-block mineral from the Oktyabr'skii massiff, Ukraine, and discreditation of surkhobite The Canadian Mineralogist, 2021, 59, 1-15 |
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