Crystallography Open Database

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9014073 CIFCa9 F0.784 H1.2 O17.216 Si4P 21/b 1 15.0672; 11.3545; 15.3941
100.587; 90; 90
870.63Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S.
Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
American Mineralogist, 2012, 97, 1998-2006
9014074 CIFBa O3 TiR 3 m :R4.0043; 4.0043; 4.0043
89.855; 89.855; 89.855
64.206Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.
Structures of the ferroelectric phases of barium titanate Note: T = 180 K
Journal of Physical Chemistry, 1993, 97, 2368-2377
9014075 CIFAl2 Ca0.59 H4 O10 Si2 Sr0.41P 1 21/m 15.351; 13.2073; 5.8443
90; 124.17; 90
341.731Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU87
American Mineralogist, 2010, 95, 724-735
9014078 CIFAl2 H19 O18 P SP 1 21/n 113.9163; 17.2422; 6.1125
90; 98.255; 90
1451.48Colombo, F.; Rius, J.; Pannunzio-Miner E V; Pedregosa, J. C.; Cami, G. E.; Carbonio, R. E.
Sanjuanite: Ab Initio crystal-structure solution from laboratory powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses Pocito Department, San Juan Province, Argentina
The Canadian Mineralogist, 2011, 49, 835-847
9014079 CIFFe3 H20 K5 O35 S6P 1 21/c 19.491; 18.474; 18.109
90; 92.38; 90
3172.43Mereiter, K.; Vollenkle, H.
Die Kristallstruktur von beta-pentakalium-[mu3-oxo-hexa-mu-sulfato- triquatriesen(III)]-Heptahydrat - eine monokline Modifikation des Masschen Salzes
Acta Crystallographica, Section B, 1978, 34, 378-384
9014081 CIFBa Be2 O7 Si2P n 21 a9.79; 11.01; 4.63
90; 90; 90
499.058Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V.
Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD
Soviet Physics Crystallography, 1965, 9, 691-699
9014082 CIFAl3.84 Ca1.6 H30.08 K0.17 Mg0.4 O39.04 Si8.16 Sr0.34R -3 m :R9.428; 9.428; 9.428
94.14; 94.14; 94.14
831.133Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Natural chabazite
Zeolites, 1982, 2, 303-309
9014084 CIFAl7 B3 Ca0.452 F0.327 H3.39 K0.04 Li2 Na0.435 O30.672 Si6R 3 m :H15.882; 15.882; 7.115
90; 90; 120
1554.23Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.
Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2
European Journal of Mineralogy, 1999, 11, 237-242
9014087 CIFCl6 Co Fe H18 N6P a -311.2506; 11.2506; 11.2506
90; 90; 90
1424.06Beattie, J. K.; Moore, C. J.
Crystal and molecular structures of rinneite, sodium tripotassium hexachloroferrate(II), and hexaamminecobalt(III) hexachloroferrate(III). Comparison of iron-chloride distances in hexachloroferrates(II) and -(III)
Inorganic Chemistry, 1982, 21, 1292-1295
9014088 CIFAl2 Ca H4 O10 Si2C m c m5.849; 8.79; 13.132
90; 90; 90
675.152Pawley, A. R.; Allan, D. R.
A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa
Mineralogical Magazine, 2001, 65, 41-58
9014090 CIFAs Cu3 S4P m n 217.426; 6.4521; 6.1631
90; 90; 90
295.294Henao, J. A.; Diaz de Delgado, G.; Delgado, J. M.; Castrillo, F. J.; Odreman, O.
Single-crystal structure refinement of enargite [Cu3AsS4] Note z-coordinate of S1 changed from .4592 to match reported bond lengths
Materials Research Bulletin, 1994, 29, 1121-1127
9014091 CIFAl6 F6 H72 Mg0.5 O64 S7R -3 :H22.01; 22.01; 9.238
90; 90; 120
3875.69Demartin, F.; Gramaccioli, C. M.; Campostrini, I.; Castellano, C.
Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: H atom in HSO4 group was not located
Mineralogical Magazine, 2011, 75, 2847-2855
9014092 CIFAl2 H56 Mg O57 V10P c c n16.3357; 24.2434; 11.7343
90; 90; 90
4647.17Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.
Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy
The Canadian Mineralogist, 2012, 50, 45-53
9014093 CIFAl3.72 H19.36 Na3.16 O33.68 Si8.28R -3 m :R9.425; 9.425; 9.425
94.06; 94.06; 94.06
830.61Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Na-exchanged
Zeolites, 1982, 2, 303-309
9014094 CIFAl7.173 B3 Ca0.517 F0.589 Fe0.09 H3.411 Li1.395 Mg0.102 Mn0.234 Na0.386 O30.411 Pb0.021 Si6 Ti0.003R 3 m :H15.8548; 15.8548; 7.1099
90; 90; 120
1547.8Lussier, 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: L4, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014097 CIFAl2 Mg3 O12 Si3I a -3 d11.4508; 11.4508; 11.4508
90; 90; 90
1501.44Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A.
Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 223.3 K
American Mineralogist, 2011, 96, 1593-1605
9014098 CIFAl0.2 B2 Fe1.404 Mg3.976 O10 Ti0.42P b a m9.26; 12.294; 3.0236
90; 90; 90
344.214Brovkin, A. A.; Rozhdestvenskaya, I. V.; Rykova, E. A.
Cation distribution in the structure of titanium-containing ludwigite Note: to be the mineral azoproite, Ti+Mg must be greater than Fe3+ in M4 site Note: Uiso values have been divided by 100
Crystallography Reports, 2002, 47, 412-414
9014099 CIFAs2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32C 1 2/c 123.139; 22.684; 12.389
90; 102.09; 90
6358.57Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J.
Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10
American Mineralogist, 2013, 98, 248-255
9014101 CIFAl2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3P 1 21/m 18.8817; 5.6543; 10.163
90; 115.435; 90
460.914Nagashima, M.; Akasada, M.
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 22
American Mineralogist, 2010, 95, 1237-1246
9014102 CIFCr2 Fe S4F d -3 m :29.9763; 9.9763; 9.9763
90; 90; 90
992.907Lo Presti, L.; Destro, R.
Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K
Journal of Chemical Physics, 2008, 128, 044710-044719
9014103 CIFNa Nb O3P 21 m a5.571; 7.766; 5.513
90; 90; 90
238.517Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E.
The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite
Journal of the American Chemical Society, 2010, 132, 8732-8746
9014104 CIFAl4.56 B3 Ca0.48 F0.18 Fe2.01 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21R 3 m :H16.017; 16.017; 7.256
90; 90; 120
1612.09Camara, F.; Ottolini, L.; Hawthorne, F. C.
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1
American Mineralogist, 2000, 87, 1437-1442
9014105 CIFAl0.03 Ca2 Fe1.366 H Mg0.344 Mn0.26 O15 Si5P -17.48; 12.159; 6.678
86.1; 93.92; 112.08
560.91Armbruster, T.
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland Note: Sample NMBE 34974
Schweizerische Mineralogische und Petrographische Mitteilungen, 2000, 80, 279-284
9014106 CIFMn0.5 OP 63 m c2.786; 2.786; 4.412
90; 90; 120
29.657Kondrashev, Y. D.; Zaslavskii, A. I.
The structure of the modifications of manganese oxide
Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186
9014107 CIFH7 Mg2 Na O11 P2P b c a16.295; 13.009; 8.434
90; 90; 90
1787.85Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G.
Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile
American Mineralogist, 2012, 97, 19-25
9014108 CIFAl1.609 Fe0.39 Mg1.001 O4F d -3 m :28.1462; 8.1462; 8.1462
90; 90; 90
540.587Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min
European Journal of Mineralogy, 2012, 24, 633-643
9014111 CIFAl3 Ca2 H O13 Si3P n m a16.1124; 5.4917; 9.911
90; 90; 90
876.97Alvaro, M.; Angel, R. J.; Camara, F.
High-pressure behavior of zoisite Note: P = 4.025 GPa
American Mineralogist, 2012, 97, 1165-1176
9014112 CIFNb2 O6 PbR 3 m :H10.501; 10.501; 11.555
90; 90; 120
1103.47Mahe, R.
Etude structurale du metaniobate de plombe rhomboedrique II. - Positions des atomes
Bulletin de la Societe Chimique de France, 1967, 1967, 1879-1884
9014113 CIFFeF m -3 m3.468; 3.468; 3.468
90; 90; 90
41.71Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 27.44 GPa, T = 1273 K
American Mineralogist, 2012, 97, 1417-1420
9014114 CIFAl1.461 Fe0.539 Mg O4F d -3 m :28.1699; 8.1699; 8.1699
90; 90; 90
545.318Princivalle, 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 750 C Annealing time = 1 min
European Journal of Mineralogy, 2012, 24, 633-643
9014115 CIFC2.63 Ca0.14 Ce0.84 F1.72 La0.9 Na Nd0.08 O7.89 Pr0.02 Sm0.02P -6 m 25.1131; 5.1131; 8.6759
90; 90; 120
196.433Piilonen, P. C.; McDonald, A. M.; Grice, J. D.; Cooper, M. A.; Kolitsch, U.; Rowe, R.; Gault, R. A.; Poirier, G.
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) Note: x-coordinate of O1 adjusted to special position
Mineralogical Magazine, 2010, 74, 257-268
9014116 CIFCa0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02P n m a11.0563; 7.56; 5.3637
90; 90; 90
448.328Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D.
Nioboaeschynite-(Ce), Ce(NbTi)O6
Acta Crystallographica, Section E, 2012, 68, i64-i65
9014117 CIFMg O3 SiP b c a18.21; 8.82; 5.1767
90; 90; 90
831.441Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa
American Mineralogist, 2012, 97, 1741-1748
9014118 CIFNa Nb O3P b m a5.566; 15.52; 5.506
90; 90; 90
475.632Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D.
The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures
Acta Crystallographica, Section B, 1969, 25, 851-865
9014120 CIFBe OP 63 m c2.6983; 2.6983; 4.3776
90; 90; 120
27.602Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: Crystal no. 1 in air
Journal of Applied Physics, 1986, 59, 3728-3733
9014122 CIFNa1.74 Nb2 Nd0.09 O6P b c m5.51; 5.5563; 15.567
90; 90; 90
476.587Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .58, Nd.09Na1.74Nb2O6
Inorganic Materials, 2004, 40, 1324-1330
9014123 CIFCl3 Mn0.508 Na21.492 O40 S10I -4 3 d15.9291; 15.9291; 15.9291
90; 90; 90
4041.79Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M.
D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles
Mineralogical Magazine, 2012, 76, 2773-2783
9014124 CIFAg1.621 Bi9.379 Cu4 Pb2 S19C 1 2/m 113.3801; 4.0007; 31.083
90; 93.064; 90
1661.49Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H.
Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series
The Canadian Mineralogist, 2012, 50, 295-312
9014126 CIFAl0.07 Ca2 Fe1.72 H Mg0.04 Mn0.17 O15 Si5P -17.497; 12.225; 6.71
86.18; 93.9; 112.27
567.231Tagai, T.; Joswig, W.; Fuess, H.
Neutron diffraction study of babingtonite at 80 K Note: T = 80 K
Mineralogical Journal, 1990, 15, 8-18
9014129 CIFH8 Mg O8 SC 1 2/c 111.9236; 5.1736; 12.1958
90; 117.548; 90
667.037Peterson, R. C.
Cranswickite MgSO4*4H2O, a new mineral from Calingasta, Argentina
American Mineralogist, 2011, 96, 869-877
9014130 CIFBa0.02 Ca1.34 Ce0.02 Dy0.02 K0.52 Na0.68 Nd0.04 O20 Pr0.01 Si8 Sm0.01 Th0.26 U0.59P 4/m c c7.5505; 7.5505; 14.7104
90; 90; 90
838.641Uvarova, Y. A.; Sokolova, E. V.; Hawthorne, F. C.; Agakhanov, A. A.; Pautov, L. A.
The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, a new mineral species of the steacyite group from the Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan
The Canadian Mineralogist, 2004, 42, 1005-1011
9014132 CIFCa H12 O17 Si2 U2P 1 21/a 113.947; 15.465; 6.626
90; 91.399; 90
1428.74Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Verin, I. A.
Crystal structure of beta-uranophane from the Transbaikal region and its relation to the structure of the alpha modification
Crystallography Reports, 2003, 48, 12-15
9014133 CIFAl8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094R 3 m :H15.746; 15.746; 7.075
90; 90; 120
1519.14Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.
Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-9
American Mineralogist, 2012, 97, 1591-1597
9014138 CIFCa H10 K2 O15 Si4P 1 21/n 16.4934; 6.9919; 32.087
90; 94.68; 90
1451.93Zubkova, N. V.; Filinchuk, Y. E.; Pekov, I. V.; Pushcharovsky, D. Y.; Gobechiya, E. R.
Crystal structures of shlykovite and cryptophyllite: comparative crystal chemistry of phyllosilicate minerals of the mountainite family
European Journal of Mineralogy, 2010, 22, 547-555
9014140 CIFGe O2P 32 2 14.9097; 4.9097; 5.6249
90; 90; 120
117.424Yamanaka, T.; Ogata, K.
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction Note: P = 2.9 GPa T = 493 K Note: quartz structure
Journal of Applied Crystallography, 1991, 24, 111-118
9014142 CIFAl7.224 B3 Ca0.636 F0.708 Fe0.045 H3.291 Li1.593 Mg0.003 Mn0.135 Na0.282 O30.291 Pb0.02 Si6 Ti0.003R 3 m :H15.8363; 15.8363; 7.104
90; 90; 120
1542.91Lussier, 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: L7, disordered model
The Canadian Mineralogist, 2011, 49, 63-88
9014143 CIFAs4 Cu6 Hg3 S12R 3 :H13.73; 13.73; 9.329
90; 90; 120
1523.02Nowacki, W.
Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12
Soviet Physics Crystallography, 1982, 27, 26-27
9014146 CIFAg0.985 Cu0.005P 63/m m c2.88; 2.88; 9.62
90; 90; 120
69.102Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V.
Native silver and its new structural modifications Note: sample DV-300, known as silver 4H
International Geology Review, 1981, 23, 485-494
9014147 CIFAl4 B10.8 Be4.84 Cs0.553 K0.332 O28P -4 3 m7.3149; 7.3149; 7.3149
90; 90; 90
391.404Pekov, I. V.; Yakubovich, O. V.; Massa, W.; Chukanov, N. V.; Kononkova, N. N.; Agakhanov, A. A.; Karpenko, V. Y.
Londonite from the Urals, and new aspects of the crystal chemistry of the rhodozite-londonite series, Note: sample FMM-32135
The Canadian Mineralogist, 2010, 48, 241-254
9014148 CIFCl3.9 Cu18 H34.32 N0.66 O36.36 S0.18P 63/m m c15.739; 15.739; 9.127
90; 90; 120
1958Hibbs, D. E.; Leverett, P.; Williams, P. A.
A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 100 K
Mineralogical Magazine, 2003, 67, 47-60

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