Crystallography Open Database

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Searching space group like 'P m c n'

COD ID: 1000033
CIF file	Formula: - C Ba O3 - Comments: de Villiers, J. P. R. Crystal structures of aragonite, strontianite, and witherite American Mineralogist 56 (1971) 758-767 Space group: P m c n Cell volume: 303.8 Cell parameters: 5.3126; 8.8958; 6.4284; 90; 90; 90;

COD ID: 1000180
CIF file	Formula: - Fe Li3 O8 Sb2 - Comments: Lacorre, P; Hervieu, M; Raveau, B Existence de la Structure Triramsdellite: Li~3~ Fe Sb~2~ O~8~ Materials Research Bulletin 19 (1984) 693-699 Space group: P m c n Cell volume: 444.8 Cell parameters: 9.017; 5.013; 9.841; 90; 90; 90;

COD ID: 1000197
CIF file	Formula: - Fe2 Li2.33 O8 Sb Sn0.66 - Comments: Lacorre, P; Hervieu, M; Choisnet, J; Raveau, B Oxydes M~3~ O~4~ a empilement hexagonal double type D.H. Li Fe Sn O~4~ (M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H. Li Fe Sn O~4~ Journal of Solid State Chemistry 51 (1984) 44-52 Space group: P m c n Cell volume: 149.8 Cell parameters: 3.031; 5.045; 9.798; 90; 90; 90;

COD ID: 1000432

CIF file

Formula: - Fe Li O4 Sn -
Comments: Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0 Journal of Solid State Chemistry 50 (1983) 196-203
Space group: P m c n
Cell volume: 153.4
Cell parameters: 3.066; 5.066; 9.874; 90; 90; 90;

COD ID: 1000433

CIF file

Formula: - Fe0.75 Li1.417 O4 Sn1.083 -
Comments: Lacorre, P; Hervieu, M; Pannetier, J; Choisnet, J; Raveau, B Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a nonstoichiometric ramsdellite and its transition to a double hexagonal close packed structure for x = 0 Journal of Solid State Chemistry 50 (1983) 196-203
Space group: P m c n
Cell volume: 155.4
Cell parameters: 3.074; 5.116; 9.881; 90; 90; 90;

COD ID: 1001219
CIF file	Formula: - Fe Li O4 Sn - Comments: Choisnet, J; Hervieu, M; Raveau, B; Tarte, P Two Polymorphous Lithium Stannoferrites Li Fe Sn O~4~: A Ramsdellite- Type and a Hexagonal Close-Packed Structure Journal of Solid State Chemistry 40 (1981) 344-351 Space group: P m c n Cell volume: 153.4 Cell parameters: 3.066; 5.066; 9.874; 90; 90; 90;

COD ID: 1001390
CIF file	Formula: - Cl4 Rb2 Zn - Comments: Hedoux, A; Grebille, D; Jaud, J; Godefroy, G Structural study of the incommensurate and lock-in phases of Rb~2~ Zn Cl~4~ Acta Crystallographica B (39,1983-) 45 (1989) 370-378 Space group: P m c n Cell volume: 845.8 Cell parameters: 7.253; 12.646; 9.221; 90; 90; 90;

COD ID: 1001661
CIF file	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673 Space group: P m c n Cell volume: 515.3 Cell parameters: 7.944; 5.6866; 11.4059; 90; 90; 90;

COD ID: 1001662
CIF file	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673 Space group: P m c n Cell volume: 515.9 Cell parameters: 7.9041; 5.7035; 11.4442; 90; 90; 90;

COD ID: 1007015
CIF file	Formula: - Cd Cs O9 P3 - Comments: Averbuch-Pouchot, M T; Durif, A Structure cristalline du trimetaphosphate de cadmium caesium Cd Cs P~3~ O~9~ Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3114-3116 Space group: P m c n Cell volume: 907.6 Cell parameters: 7.508; 12.684; 9.53; 90; 90; 90;

COD ID: 1009019
CIF file	Formula: - C3 Cr7 - Comments: Rouault, M A; Herpin, P; Fruchart, M R Etude cristallographique des carbures Cr7 C3 et Mn7 C3 Annales de Chimie (Paris) (Vol=Year) 5 (1970) 461-470 Space group: P m c n Cell volume: 385.2 Cell parameters: 7.01; 12.142; 4.526; 90; 90; 90;

COD ID: 1010243
CIF file	Formula: - H4 I3 N - Comments: Mooney, R C L The Configuration of the Triiodide Group in Ammonium Triiodide Crystals. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 143-150 Space group: P m c n Cell volume: 694 Cell parameters: 6.64; 9.66; 10.82; 90; 90; 90;

COD ID: 1010255
CIF file	Formula: - Be F4 H8 N2 - Comments: Hultgren, R. The Crystal Structure of Ammonium Beryllium Fluoride, (N H~4~)~2~ Be F~4~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 88 (1934) 233-237 Space group: P m c n Cell volume: 443.7 Cell parameters: 5.8; 10.2; 7.5; 90; 90; 90;

COD ID: 1010441
CIF file	Formula: - Br Cl H4 I N - Comments: Mooney, R. C. L. The crystal structure of Ammonium Chlorobromoiodide and the Configuration of the Chlorobromoiodide Group Zeitschrift für Kristallographie - Crystalline Materials 98(1-6) (1938) 324-333 Space group: P m c n Cell volume: 517.9 Cell parameters: 6.13; 8.5; 9.94; 90; 90; 90;

COD ID: 1010443
CIF file	Formula: - Cr Cs2 O4 - Comments: Miller, J. J. The Crystal Structure of Caesium Chromate Cs~2~CrO~4~ Zeitschrift für Kristallographie - Crystalline Materials 99(1-6) (1938) 32-37 Space group: P m c n Cell volume: 579.8 Cell parameters: 6.226; 11.135; 8.363; 90; 90; 90;

COD ID: 1010632
CIF file	Formula: - Br Cl H4 I N - Comments: Mooney, R C L The crystal structure of Ammonium chlorobromoiodide Bulletin of the American Physical Society (-30,1955) 10 (1935) 30-30 Space group: P m c n Cell volume: 528.4 Cell parameters: 6.14; 8.58; 10.03; 90; 90; 90;

COD ID: 1011186
CIF file	Formula: - Cr K2 O4 - Comments: Zachariasen, W H; Ziegler, G E The crystal structure of potassium chromate K2 Cr O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 80 (1931) 164-173 Space group: P m c n Cell volume: 468.5 Cell parameters: 5.92; 10.4; 7.61; 90; 90; 90;

COD ID: 1011253
CIF file	Formula: - S Sn - Comments: Hofmann, W Ergebnisse der Strukturbestimmung komplexer Sulfide. I: SnS und PbSnS2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 161-173 Space group: P m c n Cell volume: 192.7 Cell parameters: 3.98; 4.33; 11.18; 90; 90; 90;

COD ID: 1508942
CIF file	Formula: - C21 H12 N2 O2 - Comments: Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10. Organic letters 15(4) (2013) 804-807 Space group: P m c n Cell volume: 1501.9 Cell parameters: 6.8305; 11.0589; 19.8828; 90; 90; 90;

COD ID: 1511204
CIF file	Formula: - B La O3 - Comments: Abdullaev, G.K.; Mamedov, Kh.S.; Dzhafarov, G.G. Crystal structure of lanthanum orthoborate Azerbaidzhanskii Khimicheskii Zhurnal 1976 (1976) 117-120 Space group: P m c n Cell volume: 250.365 Cell parameters: 5.13; 8.3; 5.88; 90; 90; 90;

COD ID: 1521253
CIF file	Formula: - Ca0.612 O3 Sr0.388 Zr - Comments: Joseph, J.; Sivasubramaniam, V.; Vimala, T.M.; Murthy, V.R.K. Structural study on Ca0.6 Sr0.4 Zr O3 Japanese Journal of Applied Physics, Part 1 38 (1999) 822-823 Space group: P m c n Cell volume: 531.445 Cell parameters: 8.0946; 5.6758; 11.5674; 90; 90; 90;

COD ID: 1521805
CIF file	Formula: - Bi Mg2 O6 V - Comments: Radosavljevic, I.; Sleight, A.W. Variable temperature X-ray diffraction study of bismuth magnesium vanadate, Bi Mg2 V O6 Journal of Solid State Chemistry 149 (2000) 143-148 Space group: P m c n Cell volume: 526.704 Cell parameters: 5.4411; 7.9142; 12.2313; 90; 90; 90;

COD ID: 1525242
CIF file	Formula: - O3 Pb Rb2 - Comments: Seeger, K.; Hoppe, R. Die Kristallstruktur von Rb2 Pb O3 Zeitschrift fuer Anorganische und Allgemeine Chemie 375 (1970) 255-263 Space group: P m c n Cell volume: 483.734 Cell parameters: 10.8; 7.49; 5.98; 90; 90; 90;

COD ID: 1525661
CIF file	Formula: - Cd2 Ge O4 - Comments: Belokoneva, E.L.; Ivanov, Yu.A.; Simonov, M.A.; Belov, N.V. Crystal structure of cadmium orthogermanate Cd2 Ge O4 Kristallografiya 17 (1972) 217-219 Space group: P m c n Cell volume: 379.173 Cell parameters: 6.57; 5.19; 11.12; 90; 90; 90;

COD ID: 1525744
CIF file	Formula: - Cr O4 Tl2 - Comments: Carter, R.L.; Margulis, T.N. Crystal Structure of Tl2 Cr O4 Journal of Solid State Chemistry 5 (1972) 75-78 Space group: P m c n Cell volume: 501.467 Cell parameters: 5.91; 10.727; 7.91; 90; 90; 90;

COD ID: 1526313
CIF file	Formula: - Bi Mg2 O6 P - Comments: Radosavljevic, I.; Howard, J.A.K.; Sleight, A.W. Synthesis and structure of two new bismuth cadmium vanadates, Bi CdV O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 PO6 International Journal of Inorganic Materials 2 (2000) 543-550 Space group: P m c n Cell volume: 489.899 Cell parameters: 5.2743; 7.8088; 11.8948; 90; 90; 90;

COD ID: 1526682
CIF file	Formula: - Ba Ce O3 - Comments: Knight, K.S. Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton Solid State Ionics 127 (2000) 43-48 Space group: P m c n Cell volume: 338.422 Cell parameters: 8.76035; 6.2214; 6.20939; 90; 90; 90;

COD ID: 1526684
CIF file	Formula: - Ba Ce0.9 H0.14 O2.95 Y0.1 - Comments: Knight, K.S. Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton Solid State Ionics 127 (2000) 43-48 Space group: P m c n Cell volume: 338.728 Cell parameters: 8.75847; 6.22666; 6.21109; 90; 90; 90;

COD ID: 1526753

CIF file

Formula: - Ba Ce0.9 O2.95 Y0.1 -
Comments: Takeuchi, K.; Richardson, J.W.jr.; Loong, C.-K.; Guan, J.; Dorris, S.E.; Balachandran, U. The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping Solid State Ionics 138 (2000) 63-77
Space group: P m c n
Cell volume: 339.613
Cell parameters: 8.774; 6.239; 6.204; 90; 90; 90;

COD ID: 1527444
CIF file	Formula: - H4 Mg N O9 P3 - Comments: Grenier, J.C.; Masse, R. Les structures des trimetaphosphates magnesium-ammonium Mg N H4 P3 O9 et calcium-ammonium Ca N H4 P3 O9 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91 (1968) 428-439 Space group: P m c n Cell volume: 811.046 Cell parameters: 7.22; 12.04; 9.33; 90; 90; 90;

COD ID: 1528159
CIF file	Formula: - H8 N2 O4 S - Comments: Udalova, V.V.; Pinsker, Z.G. Electron diffraction study of the structure of ammonium sulfate Kristallografiya 8 (1963) 538-547 Space group: P m c n Cell volume: 491.068 Cell parameters: 5.97; 10.6; 7.76; 90; 90; 90;

COD ID: 1530569
CIF file	Formula: - As4 Br Na O6 - Comments: Pertlik, F. The crystal structure of Na As4 O6 Br Journal of Solid State Chemistry 70 (1987) 225-228 Space group: P m c n Cell volume: 799.376 Cell parameters: 5.237; 8.043; 18.978; 90; 90; 90;

COD ID: 1530938
CIF file	Formula: - Ba Cl2 H2 O - Comments: Vainshtein, B.K.; Pinsker, Z.G. The electron diffraction determination of structure of barium chloride monohydrate - Ba Cl2 H2 O Zhurnal Fizicheskoi Khimii 23 (1949) 1058-1069 Space group: P m c n Cell volume: 458.873 Cell parameters: 4.51; 9.02; 11.28; 90; 90; 90;

COD ID: 1530939
CIF file	Formula: - Ba Br2 H2 O - Comments: Vainshtein, B.K.; Pinsker, Z.G. The electron diffraction analysis of Ba Br2 H2 O Zhurnal Fizicheskoi Khimii 24 (1950) 432-436 Space group: P m c n Cell volume: 500.594 Cell parameters: 4.59; 9.41; 11.59; 90; 90; 90;

COD ID: 1531129
CIF file	Formula: - C2 H2.85 Ba0.02 Ca0.056 Ce1.134 F0.15 O7.85 Sr0.794 - Comments: Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Yamnova, N.A.; Kabalov, Yu.K.; Chukanov, N.V.; Schneider, J. Crystal structures of two ancylite modifications Kristallografiya 47 (2002) 259-264 Space group: P m c n Cell volume: 316.94 Cell parameters: 5.0577; 8.5665; 7.3151; 90; 90; 90;

COD ID: 1531320
CIF file	Formula: - Cl O32 Rb7 U8 V2 - Comments: Duribreux, I.; Saadi, M.; Obbade, S.; Dion, C.; Abraham, F. Synthesis and crystal structure of two new uranyl oxychloro-vanadate layered compounds: M7 (U O2)8 (V O4)2 O8 Cl with M = Rb, Cs Journal of Solid State Chemistry 172 (2003) 351-363 Space group: P m c n Cell volume: 3595.33 Cell parameters: 21.427; 11.814; 14.203; 90; 90; 90;

COD ID: 1531358

CIF file

Formula: - Bi P Pb2 -
Comments: Giraud, S.; Conflant, P.; Drache, M.; Mizrahi, A.; Steinfink, H.; Wignacourt, J.P. A new family of compounds with tetrahedral anions: Pbn Bi On (X O4), X = V, P, As, n = 1,2,4. a comparison with lead oxysulfates Pbn Pb On (S O4) Solid State Sciences 3 (2001) 593-602
Space group: P m c n
Cell volume: 620.95
Cell parameters: 9.101; 11.496; 5.935; 90; 90; 90;

COD ID: 1531629
CIF file	Formula: - Br4 K2 Zn - Comments: Kasano, H.; Mashiyama, H.; Sato, J. Structural change of the surroundings of K(+) in K2 Zn Br4 crystal on the monoclinic - orthorhombic phase transition Ferroelectrics 269 (2002) 141-146 Space group: P m c n Cell volume: 983.978 Cell parameters: 7.717; 13.367; 9.539; 90; 90; 90;

COD ID: 1531961

CIF file

Formula: - K2 O10 U W2 -
Comments: Obbade, S.; Yagoubi, S.; Dion, C.; Bekaert, E.; Saadi, M.; Abraham, F. Synthesis and crystal structure of new uranyl tungstates M2 (U O2) (W2 O8) (M = Na, K), M2 (U O2)2 (W O5) O (M = K, Rb) and Na10 (U O2)8 (W5 O20) O8 Journal of Solid State Chemistry 172 (2003) 305-318
Space group: P m c n
Cell volume: 911.781
Cell parameters: 7.5884; 8.6157; 13.946; 90; 90; 90;

COD ID: 1532415
CIF file	Formula: - Ce D2.77 Ni3 - Comments: Yartys', V.A.; Isnard, O.; Riabov, A.B.; Aksel'rud, L.G. Unusual effects on hydrogenation: anomalous expansion and volume contraction Journal of Alloys Compd. 356 (2003) 109-113 Space group: P m c n Cell volume: 900.808 Cell parameters: 4.8748; 8.559; 21.59; 90; 90; 90;

COD ID: 1533109
CIF file	Formula: - F5 V - Comments: Edwards, A.J.; Jones, G.R. Fluoride crystal structures. Part VII. Vanadium pentafluoride Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1969 (1969) 1651-1654 Space group: P m c n Cell volume: 679.869 Cell parameters: 5.4; 16.72; 7.53; 90; 90; 90;

COD ID: 1533173
CIF file	Formula: - O4 Se Tl2 - Comments: Friese, K.; Goeta, A.E.; Leech, M.A.; Perez-Mato, J.M.; Howard, J.A.K.; Madariaga, G.; Breczewski, T. The low-temperature structure of Tl2 Se O4 at 30 K Journal of Solid State Chemistry 177 (2004) 1127-1136 Space group: P m c n Cell volume: 529.568 Cell parameters: 6.0838; 10.965; 7.9385; 90; 90; 90;

COD ID: 1535713

CIF file

Formula: - Cs Ga1.048 Se4 Sn0.952 -
Comments: Hwang Seong-Ju; Kanatzidis, M.; Iyer, R.G. Quaternary selenostannates Na(2-x) Ga(2-x) Sn(1+x) Se6 and A Ga Sn Se4 (A= K, Rb, and Cs) through rapid cooling of melts. Kinetics versus thermodynamics in the polymorphism of A Ga Sn Se4 Journal of Solid State Chemistry 177 (2004) 3640-3649
Space group: P m c n
Cell volume: 1776.1
Cell parameters: 7.6785; 12.655; 18.278; 90; 90; 90;

COD ID: 1535903
CIF file	Formula: - Cl4 Rb2 Zn - Comments: Itoh, K.; Hinasada, A.; Matsunaga, H.; Nakamura, E. Disordered structure of Rb2 Zn Cl4 in the normal phase Journal of the Physical Society of Japan 52 (1983) 664-670 Space group: P m c n Cell volume: 856.38 Cell parameters: 7.276; 12.716; 9.256; 90; 90; 90;

COD ID: 1536819
CIF file	Formula: - In5 Mo18 O28 - Comments: Fais, E.; Borrmann, H.; Mattausch, H.J.; Simon, A. Kristallstrukturen zweier Modifikationen von In5 Mo18 O28 und deren Zwillingsbildung Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1178-1184 Space group: P m c n Cell volume: 2446.25 Cell parameters: 25.966; 9.52; 9.896; 90; 90; 90;

COD ID: 1539673
CIF file	Formula: - C6 F6 Mn N O5 S2 - Comments: Damerius, R.; Leopold, D.; Schulze, W.; Seppelt, K. Strukturen von S F5-substituierten Metallkomplexen Zeitschrift fuer Anorganische und Allgemeine Chemie 578 (1989) 110-118 Space group: P m c n Cell volume: 1284.37 Cell parameters: 10.231; 10.431; 12.035; 90; 90; 90;

COD ID: 1542181
CIF file	Formula: - Ba2 O4 Si - Comments: Uchikawa, H.; Tsukiyama, K. Indexing of the Powder X-ray Diffraction Patterns and Precise Determination of the Crystal Structure of Ba~2~SiO~4~ Journal of the Ceramic Association, Japan 73(837) (1965) 106-110 Space group: P m c n Cell volume: 443.407 Cell parameters: 5.772; 10.225; 7.513; 90; 90; 90;

COD ID: 1551962

CIF file

Formula: - C33 H77 As N4 Si3 U -
Comments: Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry 7 (2015) 582-590
Space group: P m c n
Cell volume: 4207.51
Cell parameters: 20.8958; 12.54925; 16.04531; 90; 90; 90;

COD ID: 2001184

CIF file

Original IUCr paper

Formula: - C6 H9 N3 O2 -
Comments: Ferguson, G.; Gallagher, J. F.; Low, J. N.; Howie, R. A.; Hueso-Urena, F.; Moreno Carretero, M. N. Intermolecular N‒H^{···^}O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil Acta Crystallographica Section C 49(12) (1993) 2162-2164
Space group: P m c n
Cell volume: 707.46
Cell parameters: 6.7004; 7.1548; 14.7572; 90; 90; 90;

COD ID: 2001219
CIF file Original IUCr paper	Formula: - C8 H24 Br4 Co N2 - Comments: Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H. Structure of tetramethylammonium tetrabromocobaltate at room temperature Acta Crystallographica Section C 49(11) (1993) 1939-1941 Space group: P m c n Cell volume: 1882.6 Cell parameters: 9.247; 16.052; 12.683; 90; 90; 90;

COD ID: 2002358
CIF file	Formula: - Ba Fe2 O4 - Comments: Leib, W; Mueller-Buschbaum, Hk Zur Verbindungsbildung MO: M2 O3; eine neue Form von Ba Fe2 O4 mit aufgefuellter Tridymitstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 538 (1986) 71-77 Space group: P m c n Cell volume: 1762.3 Cell parameters: 17.34698; 9.3358; 10.8818; 90; 90; 90;

COD ID: 2004899

CIF file

Original IUCr paper

Formula: - C12 H24 Cu N6 S2 -
Comments: Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S. (Isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN) Acta Crystallographica Section C 52(5) (1996) 1093-1095
Space group: P m c n
Cell volume: 1725.9
Cell parameters: 9.358; 13.408; 13.755; 90; 90; 90;

COD ID: 2015675

CIF file

HKL data

Original IUCr paper

Formula: - F4 H4 N Sc -
Comments: Nicholas F. Stephens; Philip Lightfoot Ammonium scandium tetrafluoride Acta Crystallographica Section C 62(12) (2006) i103-i105
Space group: P m c n
Cell volume: 858.6
Cell parameters: 7.862; 8.088; 13.503; 90; 90; 90;

COD ID: 2100187
CIF file Original IUCr paper	Formula: - C Ca O3 - Comments: Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B 61(2) (2005) 129-132 Space group: P m c n Cell volume: 227.081 Cell parameters: 4.96183; 7.96914; 5.742852; 90; 90; 90;

COD ID: 2101318
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 434.56 Cell parameters: 5.7704; 10.0712; 7.4776; 90; 90; 90;

COD ID: 2101319
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 430.16 Cell parameters: 5.7503; 10.0395; 7.4513; 90; 90; 90;

COD ID: 2101320
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 426.14 Cell parameters: 5.7303; 10.01; 7.4291; 90; 90; 90;

COD ID: 2101321
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 424.73 Cell parameters: 5.7224; 10; 7.4226; 90; 90; 90;

COD ID: 2101322
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 424.66 Cell parameters: 5.7226; 9.9985; 7.4218; 90; 90; 90;

COD ID: 2101347
CIF file Original IUCr paper	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~ Acta Crystallographica Section B 51(5) (1995) 668-673 Space group: P m c n Cell volume: 515.3 Cell parameters: 7.944; 5.6866; 11.4059; 90; 90; 90;

COD ID: 2101348
CIF file Original IUCr paper	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~ Acta Crystallographica Section B 51(5) (1995) 668-673 Space group: P m c n Cell volume: 515.9 Cell parameters: 7.9041; 5.7035; 11.4442; 90; 90; 90;

COD ID: 2102091
CIF file Original IUCr paper	Formula: - K Li O4 S - Comments: Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B 56(4) (2000) 607-617 Space group: P m c n Cell volume: 417.3 Cell parameters: 5.264; 9.148; 8.666; 90; 90; 90;

COD ID: 2102092
CIF file Original IUCr paper	Formula: - K Li O4 S - Comments: Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B 56(4) (2000) 607-617 Space group: P m c n Cell volume: 424 Cell parameters: 5.27; 9.193; 8.751; 90; 90; 90;

COD ID: 2103738

CIF file

Original IUCr paper

Formula: - C19 H21 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P m c n
Cell volume: 1785.3
Cell parameters: 10.587; 10.779; 15.644; 90; 90; 90;

COD ID: 2103741

CIF file

Original IUCr paper

Formula: - C22 H19 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P m c n
Cell volume: 1899.6
Cell parameters: 9.915; 12.426; 15.418; 90; 90; 90;

COD ID: 2106412
CIF file	Formula: - Li2 Mo3 Ni2 O12 - Comments: Ozima, M.; Zoltai, T.; Sato, S. The crystal structure of a lithium-nickel molybdate, Li2 Ni2 Mo3 O12 , and the systematics of the structure type Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2175-2181 Space group: P m c n Cell volume: 926.832 Cell parameters: 10.423; 17.525; 5.074; 90; 90; 90;

COD ID: 2106749
CIF file	Formula: - C N Na S - Comments: Bats, J.W.; Coppens, P.; Kvick, A. The experimental charge distribution in sulfur-containing molecules. Structure determination and electron density study of Na S C N at reduced temperatures Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1534-1542 Space group: P m c n Cell volume: 300.038 Cell parameters: 4.035; 5.601; 13.276; 90; 90; 90;

COD ID: 2106992
CIF file	Formula: - H4 Li N O4 S - Comments: Itoh, K.; Ishikura, H.; Nakamura, E. Disordered structure of ferroelectric ammonium lithium sulphate in the high-temperature phase Acta Crystallographica B (24,1968-38,1982) 37 (1981) 664-666 Space group: P m c n Cell volume: 426.084 Cell parameters: 5.299; 9.199; 8.741; 90; 90; 90;

COD ID: 2107021
CIF file	Formula: - Cs2 Mo - Comments: Kools, F.X.N.M.; Koster, A.S.; Rieck, G.D. The structures of potassium, rubidium and cesium molybdate and tungstate Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1974-1977 Space group: P m c n Cell volume: 645.073 Cell parameters: 6.551; 11.586; 8.499; 90; 90; 90;

COD ID: 2107022
CIF file	Formula: - Cs2 W - Comments: Kools, F.X.N.M.; Rieck, G.D.; Koster, A.S. The structures of potassium, rubidium and cesium molybdate and tungstate Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1974-1977 Space group: P m c n Cell volume: 654.198 Cell parameters: 6.598; 11.647; 8.513; 90; 90; 90;

COD ID: 2107143
CIF file	Formula: - Cs I3 - Comments: Runsink, J.; Swen-Walstra, S.; Migchelsen, T. Refinement of the crystal structures of (C6 H5)4 As I3 and Cs I3 at 20 C and at -160 C Acta Crystallographica B (24,1968-38,1982) 28 (1972) 1331-1335 Space group: P m c n Cell volume: 739.661 Cell parameters: 6.751; 9.963; 10.997; 90; 90; 90;

COD ID: 2107144
CIF file	Formula: - Cs F4 I O - Comments: Ryan, R.R.; Asprey, L.B. The crystal structure of Cs I O F4 Acta Crystallographica B (24,1968-38,1982) 28 (1972) 979-981 Space group: P m c n Cell volume: 579.764 Cell parameters: 6.024; 15.488; 6.214; 90; 90; 90;

COD ID: 2222714

CIF file

HKL data

Original IUCr paper

Formula: - C8 H12 N2 O3 -
Comments: Smirani, Wajda; Rzaigui, Mohamed 2,5-Dimethylanilinium nitrate Acta Crystallographica Section E 65(8) (2009) o1917
Space group: P m c n
Cell volume: 920.3
Cell parameters: 6.762; 7.942; 17.137; 90; 90; 90;

COD ID: 2241152

CIF file

HKL data

Original IUCr paper

Formula: - C40 H104 I2 N8 O14 Pt2 S4 -
Comments: Matsushita, Nobuyuki Redetermination of the crystal structure of catena-poly[[[bis(ethylenediamine)platinum(II)]-μ-iodido-[bis(ethylenediamine)platinum(IV)]-μ-iodido] tetrakis(octane-1-sulfonate) dihydrate] Acta Crystallographica Section E 71(10) (2015) 1155-1158
Space group: P m c n
Cell volume: 3104.3
Cell parameters: 36.997; 7.118; 11.788; 90; 90; 90;

COD ID: 2310347
CIF file	Formula: - H2 Hg O5 S - Comments: Bonefacic, A. The crystal structure of mercuric sulphate monohydrate Acta Crystallographica (1,1948-23,1967) 14 (1961) 116-119 Space group: P m c n Cell volume: 378.917 Cell parameters: 5.42; 8.94; 7.82; 90; 90; 90;

COD ID: 2310401
CIF file	Formula: - Be O4 Y2 - Comments: Harris, L.A.; Yakel, H.L.jr. The crystal structure of Y2 Be O4 Acta Crystallographica (1,1948-23,1967) 22 (1967) 354-360 Space group: P m c n Cell volume: 363.563 Cell parameters: 3.5315; 9.8989; 10.4; 90; 90; 90;

COD ID: 2310645
CIF file	Formula: - Na3 O9 P3 - Comments: Ondik, H.M. The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O) Acta Crystallographica (1,1948-23,1967) 18 (1965) 226-232 Space group: P m c n Cell volume: 807.495 Cell parameters: 7.928; 13.214; 7.708; 90; 90; 90;

COD ID: 2310646
CIF file	Formula: - H2 Na3 O10 P3 - Comments: Ondik, H.M. The structures of anhydrous sodium trimetaphosphate Na3 P3 O9 and the monohydrate Na3 P3 O9 (H2 O) Acta Crystallographica (1,1948-23,1967) 18 (1965) 226-232 Space group: P m c n Cell volume: 847.301 Cell parameters: 8.5; 13.189; 7.558; 90; 90; 90;

COD ID: 2310661
CIF file	Formula: - H8 O10 Sr V2 - Comments: Sedlacek, P.; Dornberger-Schiff, K. Das Strukturprinzip des Strontiumvanadat, Sr (V O3)2 (H2 O)4 Acta Crystallographica (1,1948-23,1967) 18 (1965) 407-410 Space group: P m c n Cell volume: 1775.45 Cell parameters: 7.38; 33.6; 7.16; 90; 90; 90;

COD ID: 2310684
CIF file	Formula: - H2 Hg O5 S - Comments: Templeton, L.K.; Zalkin, A.; Templeton, D.H. Refinement of the Crystal Structure of Mercuric Sulfate Monohydrate Acta Crystallographica (1,1948-23,1967) 17 (1964) 933-936 Space group: P m c n Cell volume: 382.275 Cell parameters: 5.416; 8.964; 7.874; 90; 90; 90;

COD ID: 2310728
CIF file	Formula: - H O5 Pb V Zn - Comments: Bachmann, H.G. Die Kristallstruktur des Descloizit Acta Crystallographica (1,1948-23,1967) 6 (1953) 102-102 Space group: P m c n Cell volume: 434.593 Cell parameters: 6.05; 9.39; 7.65; 90; 90; 90;

COD ID: 2310816
CIF file	Formula: - Cu H14 N4 O5 S - Comments: Mazzi, F. The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N H3)4 S O4 H2 O Acta Crystallographica (1,1948-23,1967) 8 (1955) 137-141 Space group: P m c n Cell volume: 913.438 Cell parameters: 7.07; 12.12; 10.66; 90; 90; 90;

COD ID: 2310823
CIF file	Formula: - Cs I3 - Comments: Tasman, H.A.; Boswijk, K.H. Re-investigation of the crystal structure of Cs I3 Acta Crystallographica (1,1948-23,1967) 8 (1955) 59-60 Space group: P m c n Cell volume: 759.252 Cell parameters: 6.86; 9.98; 11.09; 90; 90; 90;

COD ID: 2311689

CIF file

Original IUCr paper

Formula: - Mo O3 -
Comments: Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials 72(Pt 2) (2016) 201-208
Space group: P m c n
Cell volume: 202.827
Cell parameters: 3.6961; 3.96122; 13.85331; 90; 90; 90;

COD ID: 4001361
CIF file	Formula: - C Ca O3 - Comments: Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E. Atomic Structure of Biogenic Aragonite Chemistry of Materials 19(13) (2007) 3244 Space group: P m c n Cell volume: 227.298 Cell parameters: 4.96524; 7.96358; 5.7484; 90; 90; 90;

COD ID: 4001363
CIF file	Formula: - C Ca O3 - Comments: Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E. Atomic Structure of Biogenic Aragonite Chemistry of Materials 19(13) (2007) 3244 Space group: P m c n Cell volume: 227.039 Cell parameters: 4.96259; 7.96782; 5.74186; 90; 90; 90;

COD ID: 4030435
CIF file	Formula: - Cs F19 H13 I3 - Comments: Mahjoub, A.R.; Leopold, D.; Seppelt, K. Iodine pentafluoride-hydrogen fluoride co-crystallisates, directed weak interactions European Journal of Solid State and Inorganic Chemistry 29 (1992) 635-647 Space group: P m c n Cell volume: 1513.1 Cell parameters: 7.276; 22.114; 9.404; 90; 90; 90;

COD ID: 4118294
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1479.1 Cell parameters: 6.979; 9.779; 21.672; 90; 90; 90;

COD ID: 4118297
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1486 Cell parameters: 7.032; 9.795; 21.58; 90; 90; 90;

COD ID: 4118299
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1476 Cell parameters: 7.073; 9.7; 21.51; 90; 90; 90;

COD ID: 4118300
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1458 Cell parameters: 7.077; 9.61; 21.44; 90; 90; 90;

COD ID: 4118301
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1438.9 Cell parameters: 6.938; 9.6437; 21.505; 90; 90; 90;

COD ID: 4118302
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1570.2 Cell parameters: 6.8533; 9.761; 23.472; 90; 90; 90;

COD ID: 4118304
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1569.9 Cell parameters: 6.885; 9.756; 23.372; 90; 90; 90;

COD ID: 4118306
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1467.8 Cell parameters: 6.977; 9.745; 21.588; 90; 90; 90;

COD ID: 4118307
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1466.8 Cell parameters: 6.992; 9.735; 21.55; 90; 90; 90;

COD ID: 4118308
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1468.1 Cell parameters: 7; 9.741; 21.53; 90; 90; 90;

COD ID: 4118309
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1465.1 Cell parameters: 7.003; 9.734; 21.493; 90; 90; 90;

COD ID: 4118310
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1469 Cell parameters: 7.024; 9.74; 21.473; 90; 90; 90;

COD ID: 4118311
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1466 Cell parameters: 7.027; 9.736; 21.428; 90; 90; 90;

COD ID: 4118312
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1464.4 Cell parameters: 7.034; 9.73; 21.396; 90; 90; 90;

COD ID: 4118313
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1461.2 Cell parameters: 7.037; 9.724; 21.354; 90; 90; 90;

COD ID: 4118314
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1462.5 Cell parameters: 7.059; 9.727; 21.3; 90; 90; 90;

COD ID: 4118315
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1462.2 Cell parameters: 7.072; 9.727; 21.256; 90; 90; 90;

COD ID: 4118316
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1477 Cell parameters: 7.102; 9.761; 21.306; 90; 90; 90;

COD ID: 4118317
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1466.2 Cell parameters: 7.088; 9.743; 21.231; 90; 90; 90;

COD ID: 4118318
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1479 Cell parameters: 7.047; 9.768; 21.49; 90; 90; 90;

COD ID: 4118319
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1463.8 Cell parameters: 7.06; 9.707; 21.359; 90; 90; 90;

COD ID: 4118320
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1467.8 Cell parameters: 7.054; 9.711; 21.428; 90; 90; 90;

COD ID: 4118321
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1460.3 Cell parameters: 7.032; 9.695; 21.42; 90; 90; 90;

COD ID: 4118322
CIF file	Formula: - C5 H19 Cl2 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1464.7 Cell parameters: 7.034; 9.7; 21.467; 90; 90; 90;

COD ID: 4118323
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1575.7 Cell parameters: 6.909; 9.769; 23.346; 90; 90; 90;

COD ID: 4118324
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1582.5 Cell parameters: 6.952; 9.772; 23.295; 90; 90; 90;

COD ID: 4118325
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1575 Cell parameters: 6.915; 9.773; 23.306; 90; 90; 90;

COD ID: 4118326
CIF file	Formula: - C5 H18 Cl3 N5 O3 Ru S - Comments: Sven O. Sylvester; Jacqueline M. Cole; Paul G. Waddell Photoconversion Bonding Mechanism in Ruthenium Sulfur Dioxide Linkage Photoisomers Revealed by in Situ Diffraction Journal of the American Chemical Society 134 (2012) 11860-11863 Space group: P m c n Cell volume: 1582.4 Cell parameters: 6.9441; 9.774; 23.314; 90; 90; 90;

COD ID: 4124421

CIF file

Formula: - C4 H7 B3 Br Mn O4 -
Comments: Chen, M.W.; Calabrese, J.C.; Gaines, D.F.; Hillenbrand, D.F. Low-temperature crystal and molecular structure of tetracarbonyl (2-bromoheptahydrotriborato(1-)) manganese (C O)4 Mn B3 H7 Br and a 1H NMR study of the kinetics of its intramolecular hydrogen exchange in solution Journal of the American Chemical Society 102 (1980) 4928-4933
Space group: P m c n
Cell volume: 1073.11
Cell parameters: 7.658; 9.084; 15.426; 90; 90; 90;

COD ID: 4124636

CIF file

Formula: - C3 H13 B8 Mn O3 -
Comments: Calabrese, J.C.; Fischer, M.B.; Gaines, D.F.; Lott, J.W. A new type of metalloborane. Structural and spectroscopic characterization of tricarbonylmanganese tridecahydrooctaborate, (C O)3 Mn B8 H13 Journal of the American Chemical Society 96 (1974) 6318-6323
Space group: P m c n
Cell volume: 1224.72
Cell parameters: 11.549; 5.506; 19.26; 90; 90; 90;

COD ID: 4307817
CIF file	Formula: - Ce2 D4 Ni7 - Comments: Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4 Inorganic Chemistry 46 (2007) 2914-2920 Space group: P m c n Cell volume: 1230.26 Cell parameters: 4.8845; 8.507; 29.6073; 90; 90; 90;

COD ID: 4307818
CIF file	Formula: - Ce D2.8 Ni3 - Comments: Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4 Inorganic Chemistry 46 (2007) 2914-2920 Space group: P m c n Cell volume: 900.808 Cell parameters: 4.8748; 8.559; 21.59; 90; 90; 90;

COD ID: 4307819
CIF file	Formula: - Ce2 D4 Ni7 - Comments: Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4 Inorganic Chemistry 46 (2007) 2914-2920 Space group: P m c n Cell volume: 1232.39 Cell parameters: 4.87726; 8.5291; 29.6257; 90; 90; 90;

COD ID: 4307820
CIF file	Formula: - Ce D2.8 Ni3 - Comments: Yaroslav E. Filinchuk; Klaus Yvon; Herman Emerich Tetrahedral D Atom Coordination of Nickel and Evidence for Anti-isostructural Phase Transition in Orthorhombic Ce2Ni7D~4 Inorganic Chemistry 46 (2007) 2914-2920 Space group: P m c n Cell volume: 899.7 Cell parameters: 4.8703; 8.5493; 21.607; 90; 90; 90;

COD ID: 4322998
CIF file	Formula: - C20 H29 Cl3 O16 U - Comments: Hany Hassaballa; Jonathan W. Steed; Peter C. Junk; Mark R. J. Elsegood Formation of Lanthanide and Actinide Oxonium Ion Complexes with Crown Ethers from a Liquid Clathrate Medium Inorganic Chemistry 37 (1998) 4666-4671 Space group: P m c n Cell volume: 3325.9 Cell parameters: 12.174; 14.774; 18.492; 90; 90; 90;

COD ID: 4345470

CIF file

Formula: - C62 H68 Er3 N18 O43 Zn6 -
Comments: Feng, Xun; Feng, Yuquan; Guo, Nan; Sun, Yiling; Zhang, Tian; Ma, Lufang; Wang, Liya Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and Luminescent Probe with Switchable Properties. Inorganic chemistry 56(3) (2017) 1713-1721
Space group: P m c n
Cell volume: 10068
Cell parameters: 34.95; 17.274; 16.676; 90; 90; 90;

COD ID: 4349739

CIF file

Formula: - C7 Cd N3 O P S3 -
Comments: Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3] Inorganic Chemistry Frontiers 4(9) (2017) 1445
Space group: P m c n
Cell volume: 1462.1
Cell parameters: 10.411; 13.112; 10.711; 90; 90; 90;

COD ID: 4508317
CIF file	Formula: - C5 H7 Br2 N S - Comments: Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts Crystal Growth & Design 13(10) (2013) 4533 Space group: P m c n Cell volume: 855.8 Cell parameters: 6.932; 10.526; 11.729; 90; 90; 90;

COD ID: 5000085
CIF file	Formula: - C Ca O3 - Comments: de Villiers, J. P. R. Crystal structures of aragonite, strontianite, and witherite American Mineralogist 56 (1971) 758-767 Space group: P m c n Cell volume: 226.9 Cell parameters: 4.9614; 7.9671; 5.7404; 90; 90; 90;

COD ID: 5000093
CIF file	Formula: - C O3 Sr - Comments: de Villiers, J. P. R. Crystal structures of aragonite, strontianite, and witherite American Mineralogist 56 (1971) 758-767 Space group: P m c n Cell volume: 255.1 Cell parameters: 5.09; 8.358; 5.997; 90; 90; 90;

COD ID: 5000170
CIF file	Formula: - C9 H8 Cl3 N O2 S - Comments: Moss, L. E.; Jacobson, R. A. Crystal Structure Communications 20 (1981) 1545 Space group: P m c n Cell volume: 1168.31 Cell parameters: 10.744; 10.898; 9.978; 90; 90; 90;

COD ID: 6000408
CIF file	Formula: - Al Mo O7 V - Comments: Knorr, K.; Jakubus, P.; Dabrowska, G.; Kurzawa, M. Crystal structure determination of AlVMoO~7~ from X-ray powder diffraction data European Journal of Solid State and Inorganic Chemistry 35(6-7) (1998) 519-530 Space group: P m c n Cell volume: 558.83 Cell parameters: 5.3763; 8.1644; 12.7312; 90; 90; 90;

COD ID: 7009122

CIF file

Formula: - C7 H15 Mo N3 S3 -
Comments: Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands Journal of the Chemical Society, Dalton Transactions (issue 5) (2000) 719
Space group: P m c n
Cell volume: 1243.74
Cell parameters: 8.4093; 10.5438; 14.0272; 90; 90; 90;

COD ID: 7039204

CIF file

Formula: - C16 H17 Ag2 F6 N4 O2 P -
Comments: Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J. Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge. Dalton transactions (Cambridge, England : 2003) 45(23) (2016) 9540-9552
Space group: P m c n
Cell volume: 2148.4
Cell parameters: 11.051; 11.852; 16.403; 90; 90; 90;

COD ID: 7116262

CIF file

Formula: - C6 H16 Cl N O4 -
Comments: Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties. Chemical communications (Cambridge, England) 51(12) (2015) 2298-2300
Space group: P m c n
Cell volume: 1016.37
Cell parameters: 7.4714; 16.0278; 8.4874; 90; 90; 90;

COD ID: 7120274
CIF file	Formula: - C4 H12 Br3 Cd O P - Comments: Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong [(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature Chem. Commun. (2017) Space group: P m c n Cell volume: 1126.4 Cell parameters: 10.127; 15.938; 6.9785; 90; 90; 90;

COD ID: 7123699
CIF file	Formula: - C7 H12 Cd N3 P S3 - Comments: Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3] Chemical Communications (2019) Space group: P m c n Cell volume: 1462.13 Cell parameters: 10.2216; 13.3718; 10.6974; 90; 90; 90;

COD ID: 7123701
CIF file	Formula: - C7 H10 Cd F N3 P S3 - Comments: Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3] Chemical Communications (2019) Space group: P m c n Cell volume: 1469.25 Cell parameters: 10.3487; 13.2129; 10.7451; 90; 90; 90;

COD ID: 7126123

CIF file

Formula: - In3 La3 O3 S6 -
Comments: Kabbour, Houria; Sayede, Adlane; Saitzek, Sébastien; Lefèvre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal Structure of the water-splitting photocatalyst oxysulfide α-LaOInS2 and ab initio prediction of new polymorphs. Chemical communications (Cambridge, England) 56(11) (2020) 1645-1648
Space group: P m c n
Cell volume: 1215.67
Cell parameters: 3.985; 20.546; 14.8477; 90; 90; 90;

COD ID: 7131175

CIF file

Formula: - C16 Bi2 Br9 N P2 -
Comments: Mu, Jie; Xu, Ke; He, Lei; Xu, Yan; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong Increasing the ferroelastic phase transition temperature of hybrid perovskites through a mixed phosphonium and ammonium cation strategy. Chemical communications (Cambridge, England) 59(9) (2023) 1209-1212
Space group: P m c n
Cell volume: 3982.9
Cell parameters: 23.522; 8.5667; 19.7659; 90; 90; 90;

COD ID: 7201464
CIF file	Formula: - C14 H12 Ag N3 O9 - Comments: Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa Drug-containing coordination and hydrogen bonding networks obtained mechanochemically CrystEngComm 11(12) (2009) 2618 Space group: P m c n Cell volume: 1685 Cell parameters: 28.665; 5.402; 10.882; 90; 90; 90;

COD ID: 7202073
CIF file	Formula: - C12 H10 Pb S2 - Comments: Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2 CrystEngComm 10(8) (2008) 968 Space group: P m c n Cell volume: 1159.1 Cell parameters: 27.0798; 5.7437; 7.452; 90; 90; 90;

COD ID: 7204405
CIF file	Formula: - Bi O6 Pb2 V - Comments: Evans, Ivana Radosavljevic; Evans, John S. O.; Howard, Judith A. K. Variable temperature structural study of bismuth lead vanadate, BiPb2VO6 Journal of Materials Chemistry 12(9) (2002) 2648 Space group: P m c n Cell volume: 688.451 Cell parameters: 6.03828; 9.44267; 12.07438; 90; 90; 90;

COD ID: 7218074

CIF file

Formula: - C16 H36 F6 P2 -
Comments: Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium). Physical chemistry chemical physics : PCCP 16(43) (2014) 23616-23626
Space group: P m c n
Cell volume: 2250.9
Cell parameters: 9.9807; 13.8901; 16.2367; 90; 90; 90;

COD ID: 7227033

CIF file

Formula: - C5 H12 Cl N5 S3 -
Comments: Liu, Yu-Ling; Wang, Zhongxia; Han, Xiang-Bin; Sun, Yu-Ling; Pryor, Donald E. Orientational ordering of guests induced structural phase transition coupled with switchable dielectric property in a host-guest crystal: bis(Thiourea) thiazolium chloride RSC Adv. (2016)
Space group: P m c n
Cell volume: 1228.5
Cell parameters: 14.311; 10.228; 8.393; 90; 90; 90;

COD ID: 7236949

CIF file

Formula: - C8 H22 Cl6 N2 Zn -
Comments: Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4] Journal of Materials Chemistry C 5(45) (2017) 11873
Space group: P m c n
Cell volume: 1881
Cell parameters: 9.16; 16.94; 12.125; 90; 90; 90;

COD ID: 7712526

CIF file

Formula: - C3 H7 I3 N2 Pb S -
Comments: Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor. Dalton transactions (Cambridge, England : 2003) 52(12) (2023) 3815-3820
Space group: P m c n
Cell volume: 1269.2
Cell parameters: 8.7522; 17.62; 8.2301; 90; 90; 90;

COD ID: 7712698

CIF file

Formula: - C24 H27 Cu N3 O4 -
Comments: Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions Dalton Transactions (2023)
Space group: P m c n
Cell volume: 2250
Cell parameters: 6.999; 16.759; 19.18; 90; 90; 90;

COD ID: 8103832
CIF file	Formula: - C Ba O3 - Comments: Colby, M.Y.; la Coste, J.B. The crystal structure of witherite. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 1-7 Space group: P m c n Cell volume: 303.839 Cell parameters: 5.29; 8.85; 6.49; 90; 90; 90;

COD ID: 8104283
CIF file	Formula: - Ba2 Li3 O22 Ti9.25 - Comments: Tillmanns, E.; Wendt, I. Die Kristallstruktur eines Bariumtitanlithiumoxids, Ba2 Ti9.25 Li3 O22 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 144 (1976) 16-31 Space group: P m c n Cell volume: 808.965 Cell parameters: 5.8081; 9.931; 14.025; 90; 90; 90;

COD ID: 8104332
CIF file	Formula: - As3 Cl O6 Pb2 - Comments: Pertlik, F. The single chain arsenites Pb(AsO2)Cl and Pb(AsO2)3Cl. Preparation and structure investigation Zeitschrift fuer Kristallographie (149,1979-) 184 (1988) 191-201 Space group: P m c n Cell volume: 857.631 Cell parameters: 5.368; 8.189; 19.51; 90; 90; 90;

COD ID: 8104511
CIF file	Formula: - Cr O4 Rb2 - Comments: Smith, H.W.; Colby, M.Y. The crystal structure of rubidium chromate Rb2 Cr O4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 103 (1941) 90-95 Space group: P m c n Cell volume: 540.558 Cell parameters: 6.301; 10.725; 7.999; 90; 90; 90;

COD ID: 9000229
CIF file	Formula: - C Ca O3 - Comments: Dal Negro, A.; Ungaretti, L. Refinement of the crystal structure of aragonite American Mineralogist 56 (1971) 768-772 Space group: P m c n Cell volume: 226.973 Cell parameters: 4.9616; 7.9705; 5.7394; 90; 90; 90;

COD ID: 9000443
CIF file	Formula: - C H0.81 Ca0.1 Ce0.42 La0.28 O4 Sr0.2 - Comments: Dal Negro A; Rossi G; Tazzoli V The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x(2-x)H2O American Mineralogist 60 (1975) 280-284 Space group: P m c n Cell volume: 312.417 Cell parameters*: 5.03; 8.52; 7.29; 90; 90; 90;

COD ID: 9001000
CIF file	Formula: - Al6.81 B O18 Si2.98 - Comments: Alexander, V. D.; Griffen, D. T.; Martin, T. J. Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA American Mineralogist 71 (1986) 786-794 Space group: P m c n Cell volume: 1117.56 Cell parameters: 11.786; 20.209; 4.692; 90; 90; 90;

COD ID: 9001001
CIF file	Formula: - Al6.84 B O18 Si3 - Comments: Alexander, V. D.; Griffen, D. T.; Martin, T. J. Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA O5y and O11x have been editted American Mineralogist 71 (1986) 786-794 Space group: P m c n Cell volume: 1123.04 Cell parameters: 11.798; 20.21; 4.71; 90; 90; 90;

COD ID: 9001002
CIF file	Formula: - Al6.81 B0.98 O18 Si2.98 - Comments: Alexander, V. D.; Griffen, D. T.; Martin, T. J. Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #10, USNM 96698, from Petaca, New Mexco, USA American Mineralogist 71 (1986) 786-794 Space group: P m c n Cell volume: 1121.27 Cell parameters: 11.8; 20.222; 4.699; 90; 90; 90;

COD ID: 9001003
CIF file	Formula: - Al6.73 B O18 Si2.95 - Comments: Alexander, V. D.; Griffen, D. T.; Martin, T. J. Crystal chemistry of some Fe- and Ti-poor dumortierites Sample: #11, USNM 141800, from Ambositra, Madagascar American Mineralogist 71 (1986) 786-794 Space group: P m c n Cell volume: 1120.51 Cell parameters: 11.802; 20.222; 4.695; 90; 90; 90;

COD ID: 9001105
CIF file	Formula: - Cu1.59 Fe2 O12 V3 - Comments: Hughes, J. M.; Starkey, S. J.; Malinconico, M. L.; Malinconico, L. L. Lyonsite, Cu3Fe4(VO4)6, a new fumarolic sublimate from Izalco volcano, El Salvador: Descriptive mineralogy and crystal structure American Mineralogist 72 (1987) 1000-1005 Space group: P m c n Cell volume: 869.872 Cell parameters: 10.296; 17.207; 4.91; 90; 90; 90;

COD ID: 9001708
CIF file	Formula: - Al2 Ca H4 O10 Si2 - Comments: Libowitzky, E.; Armbruster, T. Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 155 K American Mineralogist 80 (1995) 1277-1285 Space group: P m c n Cell volume: 672.127 Cell parameters: 5.853; 8.766; 13.1; 90; 90; 90;

COD ID: 9001709
CIF file	Formula: - Al2 Ca H4 O10 Si2 - Comments: Libowitzky, E.; Armbruster, T. Low-temperature phase transitions and the role of hydrogen bonds in lawsonite Sample: T = 233 K American Mineralogist 80 (1995) 1277-1285 Space group: P m c n Cell volume: 673.523 Cell parameters: 5.852; 8.777; 13.113; 90; 90; 90;

COD ID: 9002391

CIF file

Formula: - C Ca0.02 Ce0.005 Dy0.005 Eu0.025 Gd0.04 La0.305 Nd0.425 O4 Pr0.09 Sm0.07 Y0.015 -
Comments: Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Takeuchi, K.; Nakai, I.; Terada, Y. Kozoite-(Nd), Nd(CO3)(OH), a new mineral in an alkali olivine basalt from Hizen-cho, Saga Prefecture, Japan American Mineralogist 85 (2000) 1076-1081
Space group: P m c n
Cell volume: 308.048
Cell parameters: 4.9829; 8.5188; 7.257; 90; 90; 90;

COD ID: 9002546

CIF file

Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 130 K American Mineralogist 86 (2001) 566-577
Space group: P m c n
Cell volume: 673.826
Cell parameters: 5.86243; 8.76981; 13.1063; 90; 90; 90;

COD ID: 9002547

CIF file

Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 175 K American Mineralogist 86 (2001) 566-577
Space group: P m c n
Cell volume: 674.472
Cell parameters: 5.86092; 8.77586; 13.1132; 90; 90; 90;

COD ID: 9002548

CIF file

Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 225 K American Mineralogist 86 (2001) 566-577
Space group: P m c n
Cell volume: 675.221
Cell parameters: 5.85942; 8.78269; 13.1209; 90; 90; 90;

COD ID: 9002549

CIF file

Formula: - Al1.94 Ca D4 Fe0.06 O10 Si2 -
Comments: Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T. Displacive components of the low-temperature phase transitions in lawsonite T = 268 K American Mineralogist 86 (2001) 566-577
Space group: P m c n
Cell volume: 676.037
Cell parameters: 5.85539; 8.79152; 13.1326; 90; 90; 90;

COD ID: 9003639

CIF file

Formula: - Al2 Ca H4 O10 Si2 -
Comments: Sondergeld, P.; Schranz, W.; Troster, A.; Armbruster, T.; Giester, G.; Kityk, A.; Carpenter, M. A. Ordering and elasticity associated with low-temperature phase transitions in lawsonite Sample at T = 215 K American Mineralogist 90 (2005) 448-456
Space group: P m c n
Cell volume: 673.332
Cell parameters: 5.8515; 8.7768; 13.1107; 90; 90; 90;

COD ID: 9004207
CIF file	Formula: - O5 Sb2 V - Comments: Merlino, S.; Orlandi, P.; Perchiazzi, N.; Basso, R.; Palenzona, A. Polytypism in stibivanite The Canadian Mineralogist 27 (1989) 625-632 Space group: P m c n Cell volume: 472.769 Cell parameters: 17.916; 4.79; 5.509; 90; 90; 90;

COD ID: 9004450
CIF file	Formula: - C F2 Na O3 Y - Comments: Grice, J. D.; Chao, G. Y. Horvathite-(Y), rare-earth fluorocarbonate, a new mineral species from Mont Saint-Hilaire, Quebec The Canadian Mineralogist 35 (1997) 743-749 Space group: P m c n Cell volume: 402.092 Cell parameters: 6.959; 9.17; 6.301; 90; 90; 90;

COD ID: 9004661
CIF file	Formula: - Bi8 Cu2 Pb2 S15 - Comments: Makovicky, E.; Topa, D.; Balic-Zunic T The crystal structure of paarite, the newly discovered 56 A derivative of the bismuthinite-aikinite solid-solution series The Canadian Mineralogist 39 (2001) 1377-1382 Space group: P m c n Cell volume: 2583.11 Cell parameters: 4.007; 55.998; 11.512; 90; 90; 90;

COD ID: 9004687
CIF file	Formula: - Bi5 Cu Pb S9 - Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd33 The Canadian Mineralogist 40 (2002) 1147-1159 Space group: P m c n Cell volume: 1543.46 Cell parameters: 4.0044; 33.575; 11.48; 90; 90; 90;

COD ID: 9004688
CIF file	Formula: - Bi5 Cu1.223 Pb S9 - Comments: Topa, D.; Makovicky, E.; Balic-Zunic T The structural role of excess Cu and Pb in gladite and krupkaite based on new refinements of their structure Sample: bd39 The Canadian Mineralogist 40 (2002) 1147-1159 Space group: P m c n Cell volume: 1549.23 Cell parameters: 4.01; 33.589; 11.502; 90; 90; 90;

COD ID: 9004977
CIF file	Formula: - Bi5 Cu Pb S9 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: superspace refinement The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 1543.41 Cell parameters: 4.0044; 33.5754; 11.4795; 90; 90; 90;

COD ID: 9004978
CIF file	Formula: - Bi5 Cu Pb S9 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: supercell refinement The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 1543.41 Cell parameters: 4.0044; 33.5754; 11.4795; 90; 90; 90;

COD ID: 9005236
CIF file	Formula: - Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 - Comments: Ferraris, G.; Ivaldi, G.; Chopin, C. Magnesiodumortierite, a new mineral from very-high-pressure rocks (Western Alps). Part I: Crystal structure European Journal of Mineralogy 7 (1995) 167-174 Space group: P m c n Cell volume: 1149.22 Cell parameters: 11.91; 20.4; 4.73; 90; 90; 90;

COD ID: 9006838
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 0.00 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 303.851 Cell parameters: 5.316; 8.892; 6.428; 90; 90; 90;

COD ID: 9006839
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.26 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 296.949 Cell parameters: 5.3; 8.868; 6.318; 90; 90; 90;

COD ID: 9006840
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.98 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 292.725 Cell parameters: 5.292; 8.856; 6.246; 90; 90; 90;

COD ID: 9006841
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 2.95 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 287.165 Cell parameters: 5.282; 8.843; 6.148; 90; 90; 90;

COD ID: 9006842
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 3.94 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 282.466 Cell parameters: 5.274; 8.838; 6.06; 90; 90; 90;

COD ID: 9006843
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 4.56 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 279.358 Cell parameters: 5.269; 8.838; 5.999; 90; 90; 90;

COD ID: 9006844
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 5.50 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 274.294 Cell parameters: 5.26; 8.846; 5.895; 90; 90; 90;

COD ID: 9006845
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 6.20 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 271.568 Cell parameters: 5.255; 8.852; 5.838; 90; 90; 90;

COD ID: 9006846
CIF file	Formula: - C Ba O3 - Comments: Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T. Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.05 GPa Physics and Chemistry of Minerals 27 (2000) 467-473 Space group: P m c n Cell volume: 268.313 Cell parameters: 5.251; 8.868; 5.762; 90; 90; 90;

COD ID: 9008411
CIF file	Formula: - C O3 Pb - Comments: Chevrier, G.; Giester, G.; Heger, G.; Jarosch, D.; Wildner, M.; Zemann, J. Neutron single-crystal refinement of cerussite, PbCO~3~, and comparison with other aragonite-type carbonates Zeitschrift für Kristallographie 199 (1992) 67-74 Space group: P m c n Cell volume: 270.082 Cell parameters: 5.179; 8.492; 6.141; 90; 90; 90;

COD ID: 9008585
CIF file	Formula: - Np - Comments: Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Sample is stable at room conditions Crystal Structures 1 (1963) 7-83 Space group: P m c n Cell volume: 153.791 Cell parameters: 4.723; 4.887; 6.663; 90; 90; 90;

COD ID: 9009414

CIF file

Formula: - C H3 Ca0.05 Ce0.04 F0.075 La0.27 Nd0.205 O3.925 Pr0.07 Sm0.01 Sr0.31 -
Comments: Petersen O V; Niedermayr G; Gault R A; Brandstatter F; Micheelsen H I; Giester G Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 493-504
Space group: P m c n
Cell volume: 314.145
Cell parameters: 5.044; 8.541; 7.292; 90; 90; 90;

COD ID: 9009909
CIF file	Formula: - Cu O3 Te - Comments: Lindqvist, O. On the crystal structures of CuTeO3 and CuTe2O5 Acta Chemica Scandinavica 25 (1971) 740-740 Space group: P m c n Cell volume: 563.906 Cell parameters: 7.604; 5.837; 12.705; 90; 90; 90;

COD ID: 9009910
CIF file	Formula: - Cu O3 Te - Comments: Lindqvist, O. The crystal structure of CuTeO3 Acta Chemica Scandinavica 26 (1972) 1423-1430 Space group: P m c n Cell volume: 563.906 Cell parameters: 7.604; 5.837; 12.705; 90; 90; 90;

COD ID: 9010016
CIF file	Formula: - C H2.69 Ca0.11 Ce0.41 La0.28 O4 Sr0.2 - Comments: dal Negro, A.; Rossi, G.; Tazzoli, V. The crystal structure of ancylite, (RE)x(Ca,Sr)2-x(CO3)2(OH)x(2-x)H2O American Mineralogist 60 (1975) 280-284 Space group: P m c n Cell volume: 312.417 Cell parameters: 5.03; 8.52; 7.29; 90; 90; 90;

COD ID: 9010570
CIF file	Formula: - Bi1.662 Cu0.33 Pb0.338 S3 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 514.755 Cell parameters: 4.0044; 11.198; 11.4795; 90; 90; 90;

COD ID: 9010571

CIF file

Formula: - Bi1.602 Cu0.388 Pb0.398 S3 -
Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic Sample: oversubstituted gladite The Canadian Mineralogist 44 (2006) 189-206
Space group: P m c n
Cell volume: 516.407
Cell parameters: 4.01; 11.1963; 11.502; 90; 90; 90;

COD ID: 9010572
CIF file	Formula: - Bi1.595 Cu0.4 Pb0.405 S3 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 516.893 Cell parameters: 4.0074; 11.2031; 11.5133; 90; 90; 90;

COD ID: 9010573
CIF file	Formula: - Bi1.575 Cu0.415 Pb0.425 S3 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 516.635 Cell parameters: 4.007; 11.1996; 11.5123; 90; 90; 90;

COD ID: 9010574
CIF file	Formula: - Bi1.5 Cu0.5 Pb0.5 S3 - Comments: Petricek, V.; Makovicky, E. Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Locality: synthetic The Canadian Mineralogist 44 (2006) 189-206 Space group: P m c n Cell volume: 519.89 Cell parameters: 4.0145; 11.2023; 11.5604; 90; 90; 90;

COD ID: 9010608
CIF file	Formula: - C0.7 H6.6 Ca O13.66 U3 - Comments: Hawthorne, F. C.; Finch, R. J.; Ewing, R. C. The crystal structure of dehydrated wyartite, Ca(CO3)[U5+(U6+O2)2O4(OH)] (H2O)3 The Canadian Mineralogist 44 (2006) 1379-1385 Space group: P m c n Cell volume: 1343.62 Cell parameters: 11.261; 7.087; 16.8359; 90; 90; 90;

COD ID: 9010928
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 25 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 304.617 Cell parameters: 5.3103; 8.9122; 6.4365; 90; 90; 90;

COD ID: 9010929
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 93 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 306.223 Cell parameters: 5.314; 8.9146; 6.4642; 90; 90; 90;

COD ID: 9010930
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 196 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 308.448 Cell parameters: 5.319; 8.9189; 6.5019; 90; 90; 90;

COD ID: 9010931
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 298 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 310.422 Cell parameters: 5.3226; 8.9212; 6.5374; 90; 90; 90;

COD ID: 9010932
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 401 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 312.557 Cell parameters: 5.3264; 8.9247; 6.5751; 90; 90; 90;

COD ID: 9010933
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 486 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 314.372 Cell parameters: 5.3293; 8.9275; 6.6076; 90; 90; 90;

COD ID: 9010934
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 606 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 316.862 Cell parameters: 5.3322; 8.931; 6.6537; 90; 90; 90;

COD ID: 9010935
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 691 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 318.721 Cell parameters: 5.3336; 8.9354; 6.6877; 90; 90; 90;

COD ID: 9010936
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 708 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 319.096 Cell parameters: 5.3337; 8.9361; 6.6949; 90; 90; 90;

COD ID: 9010937
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 777 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 320.696 Cell parameters: 5.3338; 8.9403; 6.7252; 90; 90; 90;

COD ID: 9010938
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 794 C Physics and Chemistry of Minerals 34 (2007) 573-580 Space group: P m c n Cell volume: 321.131 Cell parameters: 5.3333; 8.9417; 6.7339; 90; 90; 90;

COD ID: 9011457
CIF file	Formula: - C H2.67 La0.08 Nd0.59 O4 Pb0.33 - Comments: Chabot, B.; Sarp, H. Structure refinement of gysinite La.16Nd1.18Pb0.66(CO3)2(OH)1.34(H2O).66 Zeitschrift fur Kristallographie 171 (1985) 155-158 Space group: P m c n Cell volume: 309.83 Cell parameters: 5.0028; 8.555; 7.2392; 90; 90; 90;

COD ID: 9012058
CIF file	Formula: - C H Nd O4 - Comments: Dexpert, H.; Caro, P. Determination de la structure cristalline de la variete a des hydroxycarbonates de terres rares LnOHCO3(Ln=Nd) Materials Research Bulletin 9 (1974) 1577-1586 Space group: P m c n Cell volume: 302.723 Cell parameters: 4.953; 8.477; 7.21; 90; 90; 90;

COD ID: 9012652

CIF file

Formula: - C H2.225 Ba0.005 Ca0.025 Ce0.31 F0.075 La0.2 Nd0.045 O3.925 Pr0.015 Sr0.4 -
Comments: Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Yamnova, N. A.; Kabalov, Y. K.; Chukanov, N. V.; Schneider, J. Crystal structures of two ancylite modifications Sample: Specimen 54 Crystallography Reports 47 (2002) 223-228
Space group: P m c n
Cell volume: 316.94
Cell parameters: 5.0577; 8.5665; 7.3151; 90; 90; 90;

COD ID: 9012754
CIF file	Formula: - K N O3 - Comments: Nimmo, J. K.; Lucas, B. W. A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 25 C Journal of Physics C: Solid State Physics 6 (1973) 201-211 Space group: P m c n Cell volume: 319.14 Cell parameters: 5.4142; 9.1659; 6.4309; 90; 90; 90;

COD ID: 9012755
CIF file	Formula: - K N O3 - Comments: Nimmo, J. K.; Lucas, B. W. A neutron diffraction determination of the crystal structure of alpha-phase potassium nitrate at 25 C and 100 C Sample: T = 100 C Journal of Physics C: Solid State Physics 6 (1973) 201-211 Space group: P m c n Cell volume: 324.627 Cell parameters: 5.423; 9.1827; 6.5189; 90; 90; 90;

COD ID: 9013799
CIF file	Formula: - C Ca O3 - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: SXTL The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 227.011 Cell parameters: 4.96062; 7.97006; 5.74181; 90; 90; 90;

COD ID: 9013800
CIF file	Formula: - C Ca O3 - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 227.011 Cell parameters: 4.96062; 7.97006; 5.74181; 90; 90; 90;

COD ID: 9013801
CIF file	Formula: - C Ca O3 - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 227.07 Cell parameters: 4.96174; 7.96918; 5.74265; 90; 90; 90;

COD ID: 9013802
CIF file	Formula: - C O3 Sr - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 258.998 Cell parameters: 5.107499; 8.41382; 6.026924; 90; 90; 90;

COD ID: 9013803
CIF file	Formula: - C O3 Pb - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 270.816 Cell parameters: 5.18324; 8.4992; 6.14746; 90; 90; 90;

COD ID: 9013804
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: HRPXRD The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 304.478 Cell parameters: 5.31459; 8.90428; 6.43409; 90; 90; 90;

COD ID: 9013805
CIF file	Formula: - C Ba O3 - Comments: Antao, S. M.; Hassan, I. The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: Linear structural trends Note: Neutron The Canadian Mineralogist 47 (2009) 1245-1255 Space group: P m c n Cell volume: 304.614 Cell parameters: 5.3164; 8.9056; 6.43383; 90; 90; 90;

COD ID: 9014355

CIF file

Formula: - C Ca O3 -
Comments: 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 = 235 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 230.035
Cell parameters: 4.9653; 8.0088; 5.7847; 90; 90; 90;

COD ID: 9014412

CIF file

Formula: - Bi Cu6 Se6 -
Comments: Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R. Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure The Canadian Mineralogist 50 (2012) 281-294
Space group: P m c n
Cell volume: 1042.99
Cell parameters: 4.0341; 27.056; 9.5559; 90; 90; 90;

COD ID: 9014618
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 228.539 Cell parameters: 4.9667; 7.9775; 5.768; 90; 90; 90;

COD ID: 9014833
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 227.651 Cell parameters: 4.9638; 7.9698; 5.7545; 90; 90; 90;

COD ID: 9014838

CIF file

Formula: - C Ca O3 -
Comments: 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 = 92 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 227.903
Cell parameters: 4.9586; 7.9867; 5.7547; 90; 90; 90;

COD ID: 9014887
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 229.395 Cell parameters: 4.9692; 7.9873; 5.7796; 90; 90; 90;

COD ID: 9014935

CIF file

Formula: - C Ca O3 -
Comments: 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 = 359 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 232.128
Cell parameters: 4.9713; 8.0311; 5.8141; 90; 90; 90;

COD ID: 9014943

CIF file

Formula: - C Ca O3 -
Comments: 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 = 154 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 228.76
Cell parameters: 4.9614; 7.9954; 5.7668; 90; 90; 90;

COD ID: 9015149

CIF file

Formula: - C Ca O3 -
Comments: 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 = 337 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 231.753
Cell parameters: 4.9703; 8.0272; 5.8087; 90; 90; 90;

COD ID: 9015152

CIF file

Formula: - C Ca O3 -
Comments: 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 = 275 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 230.684
Cell parameters: 4.9672; 8.0157; 5.7938; 90; 90; 90;

COD ID: 9015320
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 226.886 Cell parameters: 4.9615; 7.9629; 5.7428; 90; 90; 90;

COD ID: 9015425
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 226.795 Cell parameters: 4.9596; 7.9644; 5.7416; 90; 90; 90;

COD ID: 9015448

CIF file

Formula: - C Ca O3 -
Comments: 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 = 197 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 229.422
Cell parameters: 4.9635; 8.0024; 5.776; 90; 90; 90;

COD ID: 9015485
CIF file	Formula: - Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 - Comments: Topa, D.; Makovicky, E. Eclarite: New data and interpretations The Canadian Mineralogist 50 (2012) 371-386 Space group: P m c n Cell volume: 4997.3 Cell parameters: 4.0307; 22.7011; 54.6145; 90; 90; 90;

COD ID: 9015510

CIF file

Formula: - C Ca O3 -
Comments: 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 = 135 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 228.481
Cell parameters: 4.9605; 7.9925; 5.7629; 90; 90; 90;

COD ID: 9015561

CIF file

Formula: - C Ca O3 -
Comments: 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 = 379 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 232.429
Cell parameters: 4.9721; 8.0344; 5.8183; 90; 90; 90;

COD ID: 9015593

CIF file

Formula: - C Ca O3 -
Comments: 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 = 318 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 231.397
Cell parameters: 4.9693; 8.0234; 5.8037; 90; 90; 90;

COD ID: 9015600
CIF file	Formula: - C Ca0.147 O3 Sr0.853 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 254.716 Cell parameters: 5.0914; 8.3519; 5.9901; 90; 90; 90;

COD ID: 9015717
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 225.211 Cell parameters: 4.9541; 7.9494; 5.7186; 90; 90; 90;

COD ID: 9015851

CIF file

Formula: - C Ca O3 -
Comments: 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 = 434 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 233.444
Cell parameters: 4.975; 8.0446; 5.8329; 90; 90; 90;

COD ID: 9015886
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 230.391 Cell parameters: 4.9723; 7.9983; 5.7931; 90; 90; 90;

COD ID: 9015893

CIF file

Formula: - C Ca O3 -
Comments: 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 = 50 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 227.314
Cell parameters: 4.9566; 7.9808; 5.7464; 90; 90; 90;

COD ID: 9015942
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 226.795 Cell parameters: 4.9596; 7.9644; 5.7416; 90; 90; 90;

COD ID: 9015969

CIF file

Formula: - C Ca O3 -
Comments: 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 = 218 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 229.737
Cell parameters: 4.9644; 8.0057; 5.7805; 90; 90; 90;

COD ID: 9016017

CIF file

Formula: - C Ca O3 -
Comments: 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 = 398 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 232.803
Cell parameters: 4.9731; 8.0384; 5.8236; 90; 90; 90;

COD ID: 9016071

CIF file

Formula: - C Ca O3 -
Comments: 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 = 477 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 234.346
Cell parameters: 4.9778; 8.0528; 5.8462; 90; 90; 90;

COD ID: 9016146

CIF file

Formula: - C Ca O3 -
Comments: 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 = 70 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 227.591
Cell parameters: 4.9576; 7.9835; 5.7503; 90; 90; 90;

COD ID: 9016151

CIF file

Formula: - C Ca O3 -
Comments: 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 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 231.05
Cell parameters: 4.9683; 8.0196; 5.7989; 90; 90; 90;

COD ID: 9016223

CIF file

Formula: - C Ca O3 -
Comments: 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 = 175 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 229.088
Cell parameters: 4.9624; 7.9989; 5.7714; 90; 90; 90;

COD ID: 9016232

CIF file

Formula: - C Ca O3 -
Comments: 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 = 458 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 233.908
Cell parameters: 4.9767; 8.0486; 5.8396; 90; 90; 90;

COD ID: 9016240

CIF file

Formula: - C Ca O3 -
Comments: 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 = 258 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 230.398
Cell parameters: 4.9664; 8.0126; 5.7898; 90; 90; 90;

COD ID: 9016338
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 226.23 Cell parameters: 4.9579; 7.9595; 5.7328; 90; 90; 90;

COD ID: 9016526

CIF file

Formula: - C Ca O3 -
Comments: 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 = 113 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 228.16
Cell parameters: 4.9594; 7.9893; 5.7584; 90; 90; 90;

COD ID: 9016592
CIF file	Formula: - C Ba0.981 O3 Sr0.019 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 304.85 Cell parameters: 5.3193; 8.9056; 6.4353; 90; 90; 90;

COD ID: 9016597
CIF file	Formula: - C Ca0.997 O3 Sr0.003 - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 224 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 225.698 Cell parameters: 4.9564; 7.9536; 5.7253; 90; 90; 90;

COD ID: 9016600

CIF file

Formula: - C Ca O3 -
Comments: 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 = 420 C Note: P = 101 kPa The Canadian Mineralogist 48 (2010) 1225-1236
Space group: P m c n
Cell volume: 233.259
Cell parameters: 4.9744; 8.0432; 5.83; 90; 90; 90;

COD ID: 9016604
CIF file	Formula: - C Ca0.001 O3 Pb - Comments: Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist 97 (2012) 707-712 Space group: P m c n Cell volume: 270.458 Cell parameters: 5.182; 8.4953; 6.1436; 90; 90; 90;

COD ID: 9017666
CIF file	Formula: - As3.516 Cl Na O6 Sb0.484 - Comments: Kampf, A. R.; Nash, B. P.; Dini, M.; Molina Donoso, A. A. Torrecillasite, Na(As,Sb)3+4O6Cl, a new mineral from the Torrecillas mine, Iquique Province, Chile: description and crystal structure Mineralogical Magazine 78 (2014) 747-755 Space group: P m c n Cell volume: 790.743 Cell parameters: 5.258; 8.062; 18.654; 90; 90; 90;

COD ID: 9017776
CIF file	Formula: - Al6.75 B H0.75 O18 Si3 - Comments: Moore, P. B.; Araki, T. Dumortierite, Si3B[Al6.75[]0.25O17.25(OH)0.75]: a detailed structure analysis Neues Jahrbuch fur Mineralogie, Abhandlungen 132 (1978) 231-241 Space group: P m c n Cell volume: 1125.36 Cell parameters: 11.828; 20.243; 4.7001; 90; 90; 90;

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