Crystallography Open Database

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9017868 CIFH2 Ni O5 SC 1 2/c 16.8252; 7.607; 7.4587
90; 117.724; 90
342.794Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.
Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = 0 C
American Mineralogist, 2020, 105, 1472-1489
9017869 CIFH2 Ni O5 SC 1 2/c 16.8115; 7.6122; 7.4444
90; 117.629; 90
341.98Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.
Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -80 C
American Mineralogist, 2020, 105, 1472-1489
9017870 CIFH2 Ni O5 SC 1 2/c 16.8037; 7.6178; 7.4371
90; 117.58; 90
341.658Talla, D.; Balla, M.; Aicher, C.; Lengauer, C. L.; Wildner, M.
Structural and spectroscopic study of the kieserite-dwornikite solid-solution series, (Mg,Ni)SO4*H2O, at ambient and low temperatures, with cosmochemical implications for icy moons and Mars Note: T = -160 C
American Mineralogist, 2020, 105, 1472-1489
9017871 CIFCa O3 SiP -16.697; 9.2986; 6.6501
83.458; 76.226; 69.581
376.722Brenker, F. E.; Nestola, F.; Brenker, L.; Peruzzo, L.; Harris, J. W.
Origin, properties, and structure of breyite: The second most abundant mineral inclusion in super-deep diamonds
American Mineralogist, 2021, 106, 38-43
9017872 CIFAl1.62 Ca0.22 Fe2.72 Mg3.36 Mn6.3 Na5.6 O48 P12P 1 21/n 112.8926; 12.4658; 10.9178
90; 97.92; 90
1737.93Yang, H.; Kobsch, A.; Gu, X.; Downs, R. T.; Xie, X.
Zhanghuifenite, Na3Mn2+4Mg2Al(PO4)6, a new mineral isostructural with bobfergusonite, from the Santa Ana mine, San Luis province, Argentina
American Mineralogist, 2021, 106, 1009-1015
9017873 CIFCa0.42 Ce0.18 Cu6 Dy0.01 Gd0.03 H12 La0.12 Nd0.09 O21 P2.85 Pr0.02 Si0.15 Sm0.01 Y0.16P 63/m13.2197; 13.2197; 5.8591
90; 90; 120
886.757Morrison, S. M.; Domanik, K. J.; Yang, H.; Downs, R. T.
Petersite-(Ce), Cu2+6Ce(PO4)3(OH)6*3H2O, a new mixite group mineral from Yavapai County, Arizona, USA
The Canadian Mineralogist, 2016, 54, 1505-1511
9017874 CIFBa0.946 Be4 Ca0.954 H11.684 O21.559 P4P 1 21/c 19.4958; 13.6758; 13.4696
90; 90.398; 90
1749.16Hatert, F.; Dal Bo, F.; Bruni, Y.; Meisser, N.; Vignola, P.; Risplendente, A.; Chatenet, F. X.; Lebocey, J.
Limousinite, BaCa[Be4P4O16]*6H2O, a new beryllophosphate mineral with a phillipsite-type framework
The Canadian Mineralogist, 2020, 58, 815-827
9017875 CIFAl0.04 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 Zr0.04C -110.741; 13.841; 11.079
108.174; 99.186; 89.99
1542.67Sokolova, 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
9017876 CIFFe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3P 639.3667; 9.3667; 7.6173
90; 90; 120
578.769Missen, 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
9017877 CIFCa0.81 Fe0.1 H8 Mn1.9 O17 Si4 Sr1.19C 19.1386; 6.2566; 12.0043
90.019; 91.643; 89.9
686.081Yang, 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
9017878 CIFCa0.41 Fe0.05 H8 Mn1.95 O17 Si4 Sr1.59C 1 2 19.1575; 6.2857; 12.0431
90; 91.744; 90
692.895Yang, 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
9017879 CIFAl2.46 Ba0.8 Ca0.28 Fe8.58 Mg0.88 Mn1.8 Na2.64 O48 P12P 1 21/n 112.7156; 12.3808; 10.9347
90; 97.332; 90
1707.37Yang, 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
9017880 CIFC0.216 H2.996 Cr0.43 Mg0.028 O3.146 Zn0.542R -3 m :H3.1111; 3.1111; 22.6816
90; 90; 120
190.122Yang, 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
9017881 CIFH2 Mg O5 SC 1 2/c 16.91; 7.634; 7.643
90; 118; 90
355.983Bechtold, 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
9017882 CIFCo0.279 H2 Mg0.721 O5 SC 1 2/c 16.929; 7.623; 7.641
90; 118.19; 90
355.724Bechtold, 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
9017883 CIFCo0.509 H2 Mg0.491 O5 SC 1 2/c 16.943; 7.614; 7.639
90; 118.33; 90
355.461Bechtold, 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
9017884 CIFCo0.858 H2 Mg0.142 O5 SC 1 2/c 16.963; 7.601; 7.633
90; 118.5; 90
355.027Bechtold, 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
9017885 CIFCo H2 O5 SC 1 2/c 16.97; 7.595; 7.632
90; 118.58; 90
354.787Bechtold, 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
9017886 CIFFe H7 O8 SP -16.6559; 8.9161; 11.6069
97.221; 95.655; 90.412
679.885Majzlan, 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
9017887 CIFCa4 H16 O16 Si2C 1 2/m 116.907; 3.6528; 13.068
90; 117.25; 90
717.483Zubkova, 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
9017888 CIFAs0.745 Pb0.98 S4 Sb1.275P 1 21/n 17.997; 19.517; 8.634
90; 91.061; 90
1347.34Makovicky, 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
9017889 CIFO2C 1 2/m 17.97; 5.633; 3.711
90; 116.3; 90
149.359Datchi, 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
9017890 CIFAg10.96 Te7P -613.454; 13.454; 8.459
90; 90; 120
1326.03Bindi, 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
9017891 CIFAl F Fe0.02 H34 Mg0.98 O25 S2P -16.6749; 6.773; 14.9076
79.604; 80.163; 62.475
584.9Mauro, 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
9017892 CIFFe0.17 H14 Mg0.83 O11 SP 21 21 2111.8664; 12.015; 6.8598
90; 90; 90
978.035Mauro, 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
9017893 CIFAs1.768 Fe2.686 H10.8 Na1.48 O20.36 P2 W0.664I m m a25.77; 7.325; 10.522
90; 90; 90
1986.19Grey, 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
9017894 CIFH2 Mg O5 SC 1 2/c 16.891; 7.624; 7.549
90; 116.25; 90
355.701Coing-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
9017895 CIFFe2 O12 S3R -3 :H8.229; 8.229; 22.177
90; 90; 120
1300.55Masse, 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
9017897 CIFFe0.038 Mg1.962 O4 SiP m m a5.802; 2.905; 8.411
90; 90; 90
141.766Tomioka, 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
9017898 CIFCo H2 O5 SC 1 2/c 16.963; 7.58; 7.47
90; 116.358; 90
353.275Le 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 CIFCo H2 O5 SC 1 2/c 16.963; 7.58; 7.47
90; 116.358; 90
353.275Le 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 CIFH2 Ni O5 SC 1 2/c 16.827; 7.595; 7.4
90; 116.892; 90
342.205Le 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 CIFH2 O5 S ZnC 1 2/c 16.93; 7.584; 7.503
90; 116.233; 90
353.721Le 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 CIFFe H2 O5 SC 1 2/c 17.075; 7.541; 7.6
90; 116.183; 90
363.873Le 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
9017903 CIFH2 Mn O5 SC 1 2/c 17.124; 7.663; 7.764
90; 115.85; 90
381.436Le 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
9017904 CIFFe H14.1 K4 Na10 O50.3 Si16C m c m28.866; 10.707; 17.425
90; 90; 90
5385.51Panikorovskii, 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
9017905 CIFC4 H6 N4 O3P 1 21/c 18.0004; 5.1487; 14.7501
90; 92.908; 90
606.799Xu, 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
9017906 CIFAs5.79 Fe0.15 Ni14.25 Sb0.06P 63 c m6.7922; 6.7922; 12.4975
90; 90; 120
499.315Bindi, 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
9017907 CIFC19 O8P 21 21 219.837; 10.517; 18.7594
90; 90; 90
1940.77Lisgarte, 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
9017908 CIFAg0.42 Cu6.678 Hg2.922 Sb4 Se12.576I -4 3 m10.9636; 10.9636; 10.9636
90; 90; 90
1317.83Skacha, 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
9017909 CIFFe2 H16 O17 S2P -19.1428; 10.9346; 7.2168
90.547; 90.612; 107.375
688.463Ventruti, 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
9017910 CIFC H27 Al0.89 B0.94 Ca3 O25 S0.06 Si0.11P 6311.0459; 11.0459; 10.61502
90; 90; 120
1121.64Nishio-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
9017911 CIFFe H7 O8 SP -18.976; 11.678; 6.698
95.65; 90.36; 97.2
693.052Susse, P.
Crystal structure of amarantite
Naturwissenschaften, 1967, 54, 642-643
9017912 CIFFe H15 Mg0.773 Mn0.047 O16 S2 Zn0.165P 1 21/n 110.4983; 17.8372; 7.1154
90; 100.125; 90
1311.68Majzlan, 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
9017913 CIFFe H7 O8 SP -18.935; 11.631; 6.661
95.58; 90.28; 97.28
683.293Giacovazzo, C.; Menchetti, S.
Sulla struttura della amarantite
Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1969, 25, 399-406
9017914 CIFAl0.062 Fe1.938 H18 O21 S3R -3 :H10.9631; 10.9631; 51.473
90; 90; 120
5357.68Yang, 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
9017915 CIFAl0.38 Fe1.621 H18 O21 S3P -3 1 c10.9344; 10.9344; 17.09
90; 90; 120
1769.55Yang, 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
9017916 CIFFe H5 O7 SP 21 21 217.2226; 7.393; 20.0542
90; 90; 90
1070.83Plasil, J.; Petricek, V.; Majzlan, J.
A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O
Acta Crystallographica, Section B, 2017, 73, 856-862
9017917 CIFFe2 H22 O23 S3P -16.1741; 23.5062; 6.5282
85.633; 101.553; 83.745
918.034Westland, 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
9017918 CIFFe3 H28 O30 S4P -16.4274; 15.249; 6.3464
89.72; 100.79; 85.96
609.4Westland, 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
9017919 CIFFe2.937 H28 Mg0.063 O30 S4P -16.4512; 15.3227; 6.3253
90.131; 100.9; 85.966
612.414Mauro, 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
9017920 CIFFe2.68 H28 O30 S4P -16.448; 15.248; 6.307
90.14; 100.93; 94.12
607.195Wang, Q.; Li, W.
Crystal structure of a new ferric sulfate mineral
Kexue Tongbao, 1988, 33, 1783-1787
9017922 CIF
Paper
Cl4 Cu O12 Pb5 Se4C 1 2/c 124.917; 5.506; 14.242
90; 101.77; 90
1912.82Gemmi, 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
9017923 CIFFe3 O4F d -3 m :18.3969; 8.3969; 8.3969
90; 90; 90
592.048Fleet, 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
9017924 CIFFe3 O4F d -3 m :18.3941; 8.3941; 8.3941
90; 90; 90
591.456Fleet, M. E.
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633C
Journal of Solid State Chemistry, 1986, 62, 75-82
9017925 CIFFe3 O4F d -3 m :18.3985; 8.3985; 8.3985
90; 90; 90
592.387Fleet, M. E.
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633D
Journal of Solid State Chemistry, 1986, 62, 75-82
9017926 CIFFe3 O4F d -3 m :18.3941; 8.3941; 8.3941
90; 90; 90
591.456Fleet, M. E.
The structure of magnetite: Symmetry of cubic spinels Note: Sample 633A
Journal of Solid State Chemistry, 1986, 62, 75-82

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