Search results

Formula: - H2 Na5 O15 P3 V2 -
Comments: Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV) Journal of Solid State Chemistry 96 (1992) 390-396
Space group: C 1 m 1
Cell volume: 648.9
Cell parameters: 6.3089; 20.10379; 5.1172; 90; 91.134; 90;

COD ID: 1001332
CIF file	Formula: - F12 H2 Np3 O - Comments: Cousson, A; Gasperin, M Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O Acta Crystallographica C (39,1983-) 41 (1985) 804-805 Space group: C 1 m 1 Cell volume: 926.9 Cell parameters: 12.023; 11.723; 8.435; 90; 128.77; 90;

COD ID: 1001668
CIF file	Formula: - C76.039 S48 - Comments: Michel, R H; Kappes, M M; Adelmann, P; Roth, G Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes Angewandte Chemie (German Edition) 106 (1994) 1742-1746 Space group: C 1 m 1 Cell volume: 4108.2 Cell parameters: 10.41; 20.5; 19.48; 90; 98.8; 90;

COD ID: 1001719
CIF file	Formula: - Co O3.111 Sr0.9999 Tl0.41 - Comments: Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 Chemistry of Materials (1,1989- 8 (1996) 1482-1489 Space group: C 1 m 1 Cell volume: 1440.6 Cell parameters: 4.95; 25.18999; 11.66; 90; 97.76; 90;

COD ID: 1008044
CIF file	Formula: - Er3 F10 K - Comments: Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine Annales de Chimie (Paris) (Vol=Year) 1978 (1978) 417-427 Space group: C 1 m 1 Cell volume: 3055.1 Cell parameters: 14.08; 8.137; 28.28; 90; 109.45; 90;

COD ID: 1008837
CIF file	Formula: - F7 Ho2 K - Comments: le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T. Structure des phases de type α-KEr~2~F~7~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 38(5) (1982) 1431-1436 Space group: C 1 m 1 Cell volume: 1114.9 Cell parameters: 14.287; 8.004; 11.95; 90; 125.33; 90;

COD ID: 1010268
CIF file	Formula: - K N O2 - Comments: Ziegler, G E The Crystal Structure of Potassium Nitrite, K N O~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 491-499 Space group: C 1 m 1 Cell volume: 147.3 Cell parameters: 4.45; 4.99; 7.31; 90; 114.83; 90;

COD ID: 1011246
CIF file	Formula: - Al2 H8 O11 Si2 - Comments: Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 35-43 Space group: C 1 m 1 Cell volume: 468.2 Cell parameters: 5.2; 8.92; 10.25; 90; 100; 90;

COD ID: 1011247
CIF file	Formula: - Al2 H4 O9 Si2 - Comments: Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 35-43 Space group: C 1 m 1 Cell volume: 341.7 Cell parameters: 5.15; 8.9; 7.57; 90; 100; 90;

COD ID: 1501501
CIF file	Formula: - Mg0.237 Nb0.473 O3 Pb Ti0.29 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 129.904 Cell parameters: 5.6968; 5.682; 4.0132; 90; 90.125; 90;

COD ID: 1501502
CIF file	Formula: - Mg0.237 Nb0.473 O3 Pb Ti0.29 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 129.791 Cell parameters: 5.7025; 5.6778; 4.0087; 90; 90.24; 90;

COD ID: 1501503
CIF file	Formula: - Mg0.25 Nb0.5 O3 Pb Ti0.25 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 130.128 Cell parameters: 5.7022; 5.6815; 4.0167; 90; 90.248; 90;

COD ID: 1501504
CIF file	Formula: - Mg0.25 Nb0.5 O3 Pb Ti0.25 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 130.32 Cell parameters: 5.6987; 5.687; 4.0211; 90; 90.135; 90;

COD ID: 1501505
CIF file	Formula: - Mg0.25 Nb0.5 O3 Pb Ti0.25 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 130.333 Cell parameters: 5.6969; 5.6889; 4.0215; 90; 90.109; 90;

COD ID: 1501506
CIF file	Formula: - Mg0.25 Nb0.5 O3 Pb Ti0.25 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18 Space group: C 1 m 1 Cell volume: 130.34 Cell parameters: 5.6952; 5.6903; 4.022; 90; 90.083; 90;

COD ID: 1501512
CIF file	Formula: - Mg0.237 Nb0.473 O3 Pb Ti0.29 - Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B 67(6) (2003) 1-12 Space group: C 1 m 1 Cell volume: 129.868 Cell parameters: 5.6951; 5.6813; 4.0138; 90; 90.136; 90;

COD ID: 1510885
CIF file	Formula: - B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 - Comments: Chizhikov, V.I.; Yu, Y.M.; Kuz'micheva, G.M.; Ageev, A.Yu.; Panyutin, V.L.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy 37 (2001) 1235-1245 Space group: C 1 m 1 Cell volume: 445.79 Cell parameters: 8.063; 15.995; 3.5231; 90; 101.15; 90;

COD ID: 1510886
CIF file	Formula: - B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 - Comments: Chizhikov, V.I.; Panyutin, V.L.; Kuz'micheva, G.M.; Ageev, A.Yu.; Rybakov, V.B.; Yu, Y.M. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy 37 (2001) 1235-1245 Space group: C 1 m 1 Cell volume: 446.105 Cell parameters: 8.065; 15.998; 3.5243; 90; 101.17; 90;

COD ID: 1510887
CIF file	Formula: - B3 Ca4 La O10 - Comments: Belokoneva, E.L.; Mill', B.V.; Ershova, G.I. Crystallization and crystal structure of La Ca4 O (B O3)3 Zhurnal Neorganicheskoi Khimii 48 (2003) 5-7 Space group: C 1 m 1 Cell volume: 468.256 Cell parameters: 8.183; 16.11; 3.623; 90; 101.36; 90;

COD ID: 1510888
CIF file	Formula: - B3 Ca4 Lu O10 - Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii 38 (1993) 917-920 Space group: C 1 m 1 Cell volume: 443.614 Cell parameters: 8.055; 15.986; 3.511; 90; 101.12; 90;

COD ID: 1510889
CIF file	Formula: - B3 Ca4 O10 Tb - Comments: Dzhurinskii, B.F.; Ilyukhin, A.B. Crystal structures of double oxoborates Ln Ca4 O (B O3)3 (Ln= Gd, Tb, Lu) and Eu2 Ca O (B O3)2 Zhurnal Neorganicheskoi Khimii 38 (1993) 917-920 Space group: C 1 m 1 Cell volume: 451.74 Cell parameters: 8.089; 16.034; 3.5511; 90; 101.24; 90;

COD ID: 1510890
CIF file	Formula: - B3 Ca4 O10 Y0.85 Yb0.15 - Comments: Chizhikov, V.I.; Kuz'micheva, G.M.; Yu, Y.M.; Panyutin, V.L.; Rybakov, V.B.; Ageev, A.Yu. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy 37 (2001) 1235-1245 Space group: C 1 m 1 Cell volume: 445.861 Cell parameters: 8.062; 15.996; 3.524; 90; 101.16; 90;

COD ID: 1510891
CIF file	Formula: - B3 Ca4.084 O9.96 Y0.916 - Comments: Yu, Y.M.; Ageev, A.Yu.; Kuz'micheva, G.M.; Panyutin, V.L.; Chizhikov, V.I.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy 37 (2001) 1235-1245 Space group: C 1 m 1 Cell volume: 446.927 Cell parameters: 8.069; 16.005; 3.5275; 90; 101.17; 90;

COD ID: 1511069
CIF file	Formula: - B Co3 O7 P - Comments: Kniep, R.; Kizilyalli, M.; Stucky, G.D.; Yilmaz, A.; Bu Xianhui Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization Journal of Solid State Chemistry 156 (2001) 281-285 Space group: C 1 m 1 Cell volume: 528.19 Cell parameters: 9.774; 12.688; 4.9057; 90; 119.749; 90;

COD ID: 1511425
CIF file	Formula: - B18 K8 Se18 - Comments: Hammerschmidt, A.; Krebs, B.; Doech, M.; Lindemann, A. K8 (B12 (B Se3)6): a novel selenoborato-closo- dodecaborate with different anion substitution patterns Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1249-1255 Space group: C 1 m 1 Cell volume: 6250.41 Cell parameters: 16.2878; 41.617; 9.7876; 90; 109.592; 90;

COD ID: 1511697
CIF file	Formula: - B8 O38 Y16.86 - Comments: You, L.-P.; Su, M.-Z.; Zhou, S.; Yang, L.-Q.; Lin, J.-H.; Yao, G.-Q. Structure and luminescent properties of Y17.33 (B O3)4 (B2 O5)2 O16 Journal of Solid State Chemistry 134 (1997) 158-163 Space group: C 1 m 1 Cell volume: 805 Cell parameters: 18.1662; 3.6516; 13.9775; 90; 119.75; 90;

COD ID: 1518091
CIF file	Formula: - Bi7 Cs3 Se12 - Comments: Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph 0n Cs3Bi7Se12, a new layer selenidobismutate (III) Revue de Chimie Minerale 22 (1985) 676-683 Space group: C 1 m 1 Cell volume: 1465 Cell parameters: 27.733; 4.177; 13.286; 90; 107.9; 90;

COD ID: 1518112
CIF file	Formula: - F11 O Tl U3 - Comments: Hsini, Sifeddine; Caignol, Elisabeth; Metin, Jacques; Avignant, Daniel; Cousseins, Jean-Claude Structure cristalline de l'oxyfluorure TlU3OF11 Revue de Chimie Minerale 23 (1986) 35-47 Space group: C 1 m 1 Cell volume: 955.5 Cell parameters: 14.051; 8.106; 8.389; 90; 90; 90;

COD ID: 1521045
CIF file	Formula: - O3 Pb Ti0.46 Zr0.54 - Comments: Frantti, J.; Rundlof, H.; Lappalainen, J.; Ivanov, S.; Eriksson, S.; Lantto, V.; Nishio, S.; Kakihana, M. Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics Japanese Journal of Applied Physics, Part 1 39 (2000) 5697-5703 Space group: C 1 m 1 Cell volume: 135.463 Cell parameters: 5.76907; 5.74266; 4.089; 90; 90.497; 90;

COD ID: 1521480
CIF file	Formula: - Fe0.5 Nb0.5 O3 Pb - Comments: Lampis, N.; Geddo Lehmann, A.; Sciau, P. Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3 Journal of Physics: Condensed Matter 11 (1999) 3489-3500 Space group: C 1 m 1 Cell volume: 128.945 Cell parameters: 5.674; 5.663; 4.013; 90; 89.84; 90;

COD ID: 1521482
CIF file	Formula: - Fe0.5 O3 Pb Ta0.5 - Comments: Lampis, N.; Sciau, P.; Geddo Lehmann, A. Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3 Journal of Physics: Condensed Matter 12 (2000) 2367-2378 Space group: C 1 m 1 Cell volume: 128.628 Cell parameters: 5.6687; 5.661; 4.0083; 90; 89.853; 90;

COD ID: 1522870
CIF file	Formula: - Al3 Mo - Comments: Schuster, J.C.; Ipser, H. The Al - Al8 Mo3 section of the binary system aluminum- molybdenum Metallurgical Transactions A: Physical Metallurgy and Materials Science 22 (1991) 1729-1738 Space group: C 1 m 1 Cell volume: 483.579 Cell parameters: 16.396; 3.594; 8.386; 90; 101.88; 90;

COD ID: 1524390
CIF file	Formula: - Cu0.85 O5 V2 - Comments: Galy, J.; Lavaud, D.; Casalot, A.; Hagenmuller, P. Bronzes oxygenes de vanadium de formule Cux V2 O5: Structure cristalline des phases Cux V2 O5 -beta et Cux V2 O5 - epsilon Journal of Solid State Chemistry 2 (1970) 531-543 Space group: C 1 m 1 Cell volume: 358.329 Cell parameters: 11.78; 3.691; 8.876; 90; 111.8; 90;

COD ID: 1524991
CIF file	Formula: - H4 Mg2 Ni - Comments: Noreus, D.; Werner, P.E. The crystal structure of the low temperature phase Mg2 Ni H4 (LT) Materials Research Bulletin 16 (1981) 199-206 Space group: C 1 m 1 Cell volume: 274.638 Cell parameters: 6.497; 6.414; 6.601; 90; 93.23; 90;

COD ID: 1525908
CIF file	Formula: - O3 Pb Ti0.48 Zr0.52 - Comments: Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L. Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary AIP Conference Proceedings 582 (2001) 33-44 Space group: C 1 m 1 Cell volume: 134.89 Cell parameters: 5.7154; 5.704; 4.1378; 90; 90.493; 90;

COD ID: 1526149

Formula: - O3 Pb Ti0.48 Zr0.52 -
Comments: Noheda, B.; Gonzalo, J.A.; Cross, L.E.; Shirane, G.; Park, S.-E.; Guo, R.; Cox, D.E. Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of Pb Zr0.52 Ti0.48 O3 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 61 (2000) 8687-8695
Space group: C 1 m 1
Cell volume: 135.136
Cell parameters: 5.72204; 5.70957; 4.13651; 90; 90.498; 90;

COD ID: 1526328
CIF file	Formula: - Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 - Comments: Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V. Crystal structure and microtwinning of a calcium-rich analog of labuntsovite Kristallografiya 46 (2001) 415-417 Space group: C 1 m 1 Cell volume: 1384.42 Cell parameters: 14.365; 13.887; 7.814; 90; 117.36; 90;

COD ID: 1526403
CIF file	Formula: - Cu2.324 O11 V4 - Comments: Rozier, P.; Satto, C.; Galy, J. The vanadium oxide bronze Cu2.33-x V4 O11. Solid state chemistry, XRD Solid State Sciences 2 (2000) 595-605 Space group: C 1 m 1 Cell volume: 396.748 Cell parameters: 15.309; 3.61; 7.335; 90; 101.84; 90;

COD ID: 1526666
CIF file	Formula: - C4 H16 N9 O16 Y - Comments: Song, J.; Kang, B.; Ning, B.; Hu, R. Preparation, crystal structure and thermal decomposition process of (Y (NTO)2 NO3 (H2 O)5) * 2(H2 O) Thermochimica Acta 352 (2000) 111-115 Space group: C 1 m 1 Cell volume: 902.167 Cell parameters: 6.773; 20.866; 6.551; 90; 102.98; 90;

COD ID: 1526858
CIF file	Formula: - Al O4 P - Comments: de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials 34 (2000) 99-113 Space group: C 1 m 1 Cell volume: 9845.9 Cell parameters: 18.46799; 31.97029; 16.67589; 90; 90; 90;

COD ID: 1526859
CIF file	Formula: - Al O4 P - Comments: de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials 34 (2000) 99-113 Space group: C 1 m 1 Cell volume: 4998.21 Cell parameters: 18.52179; 32.12469; 8.40026; 90; 90; 90;

COD ID: 1528301
CIF file	Formula: - Er3 F10 K - Comments: Aleonard, S.; Guitel, J.C.; Roux, M.T. Structure cristalline de la phase beta-K Er3 F10 Journal of Solid State Chemistry 24 (1978) 331-344 Space group: C 1 m 1 Cell volume: 3060.52 Cell parameters: 14.088; 8.1378; 28.28; 90; 109.27; 90;

COD ID: 1529027
CIF file	Formula: - C1.35 D2.7 O12 Si6 - Comments: Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H. Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study J. Phys. Chem. B 109 (2005) 7894-7899 Space group: C 1 m 1 Cell volume: 1335.92 Cell parameters: 10.43638; 15.01832; 8.85531; 90; 105.739; 90;

COD ID: 1529433
CIF file HKL data	Formula: - F3 K3 O3 W - Comments: M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov Structure transformations during phase transitions in the K3WO3F3 oxyfluoride Physics of the Solid State 53(4) (2011) 834-839 Space group: C 1 m 1 Cell volume: 329.53 Cell parameters: 8.7355; 8.6901; 6.1569; 90; 135.167; 90;

COD ID: 1529566
CIF file	Formula: - Cs H4 Li O5 S - Comments: Archer, C.; Durand, J.; Cot, L.; Galigne, J.L. Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2 Canadian Journal of Chemistry 57 (1979) 899-903 Space group: C 1 m 1 Cell volume: 308.225 Cell parameters: 11.927; 5.67; 4.828; 90; 109.26; 90;

COD ID: 1529767
CIF file	Formula: - Ca5 H4 K2 Na4 O34 Si12 - Comments: Chiragov, M.I.; Belov, N.V.; Mamedov, H.S. Crystal structure of canasite Ca5 Na4 K2 (Si12 O30) ((O H), F)4 Doklady Akademii Nauk SSSR 185 (1969) 672-674 Space group: C 1 m 1 Cell volume: 1540.38 Cell parameters: 18.74; 7.19; 12.33; 90; 112; 90;

COD ID: 1530020
CIF file	Formula: - Bi Li5 O5 - Comments: Greaves, C.; Katib, S.M.A. The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction Materials Research Bulletin 24 (1989) 973-980 Space group: C 1 m 1 Cell volume: 231.472 Cell parameters: 9.964; 4.148; 5.9409; 90; 109.49; 90;

COD ID: 1530422

Formula: - B12 H34 O13 U -
Comments: Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A. A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6 Zhurnal Neorganicheskoi Khimii 27 (1982) 2343-2347
Space group: C 1 m 1
Cell volume: 1201.63
Cell parameters: 14.513; 9.641; 9.705; 90; 117.76; 90;

COD ID: 1530436
CIF file	Formula: - Na4 Ni7 O24 P6 - Comments: Moring, J.; Kostiner, E. The crystal structure of Na4 Ni7 (P O4)6 Journal of Solid State Chemistry 62 (1986) 105-111 Space group: C 1 m 1 Cell volume: 912.359 Cell parameters: 10.55; 13.985; 6.398; 90; 104.87; 90;

COD ID: 1530677
CIF file	Formula: - Cr4 H6 Li3 O19 P - Comments: Saf'yanov, Yu.N.; Kuz'min, E.A.; Bochkova, R.I.; Belov, N.V. The crystal structure of Li3 Cr4 P O16 (H2 O)3 Doklady Akademii Nauk SSSR 257 (1981) 619-621 Space group: C 1 m 1 Cell volume: 835.325 Cell parameters: 9.635; 12.019; 7.696; 90; 110.4; 90;

COD ID: 1531306
CIF file	Formula: - Al8.96 H34.32 O89.16 Si27.04 Sr4.56 - Comments: Doebelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray study American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2073.42 Cell parameters: 17.642; 17.775; 7.414; 90; 116.897; 90;

COD ID: 1531632

Formula: - Al Cu In O4 -
Comments: Kutoglu, A.; Roesler, A.; Reinen, D. Die Cu Al In O4-Struktur - roentgenographische und spektroskopische Untersuchungen an Verbindungen M(II) Me(III) In O4 (M(II). Mn(II) - Zn(II), Me(III). Al, Ga) Zeitschrift fuer Anorganische und Allgemeine Chemie 456 (1979) 130-146
Space group: C 1 m 1
Cell volume: 154.121
Cell parameters: 5.728; 3.309; 8.352; 90; 103.2; 90;

COD ID: 1531759
CIF file	Formula: - Ca2 Co O3 - Comments: Miyazaki, Y.; Onoda, M.; Oku, T.; Kikuchi, M.; Ishii, Y.; Ono, Y.; Morii, Y.; Kajitani, T. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan 71 (2002) 491-497 Space group: C 1 m 1 Cell volume: 236.519 Cell parameters: 4.8339; 4.5582; 10.8436; 90; 98.14; 90;

COD ID: 1531762
CIF file	Formula: - Co O2 - Comments: Miyazaki, Y.; Ono, Y.; Oku, T.; Kikuchi, M.; Onoda, M.; Kajitani, T.; Ishii, Y.; Morii, Y. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan 71 (2002) 491-497 Space group: C 1 m 1 Cell volume: 146.524 Cell parameters: 4.8339; 2.8238; 10.8436; 90; 98.14; 90;

COD ID: 1532049
CIF file	Formula: - O3 Pb Ti0.48 Zr0.52 - Comments: Ragini; Ranjan, R.; Mishra, S.K.; Pandey, D. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics 92 (2002) 3266-3274 Space group: C 1 m 1 Cell volume: 135.145 Cell parameters: 5.752; 5.7431; 4.0912; 90; 90.48; 90;

COD ID: 1532054
CIF file	Formula: - O3 Pb Ti0.475 Zr0.525 - Comments: Ragini; Ranjan, R.; Pandey, D.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics 92 (2002) 3266-3274 Space group: C 1 m 1 Cell volume: 135.014 Cell parameters: 5.7532; 5.738; 4.09; 90; 90.49; 90;

COD ID: 1532057
CIF file	Formula: - O3 Pb Ti0.47 Zr0.53 - Comments: Ragini; Pandey, D.; Ranjan, R.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics 92 (2002) 3266-3274 Space group: C 1 m 1 Cell volume: 135.851 Cell parameters: 5.776; 5.7508; 4.09; 90; 90.471; 90;

COD ID: 1532118
CIF file	Formula: - Ba0.48 Fe0.66 H14.56 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8 - Comments: Rozenberg, K.A.; Rastsvetaeva, R.K.; Subbotin, V.V.; Chukanov, N.V. Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and microtwinning Kristallografiya 47 (2002) 453-456 Space group: C 1 m 1 Cell volume: 1398.08 Cell parameters: 14.45; 13.91; 7.836; 90; 117.42; 90;

COD ID: 1533071

Formula: - Ba0.2 Ca0.7 Fe0.08 H22.68 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 -
Comments: Rozenberg, K.A.; Chukanov, N.V.; Rastsvetaeva, R.K.; Pekov, I.V. New zinc-rich representative of the labuntsovite group: crystal structure and microtwinning Doklady Akad. Nauk 383 (2002) 657-660
Space group: C 1 m 1
Cell volume: 1397.49
Cell parameters: 14.491; 13.911; 7.822; 90; 117.59; 90;

COD ID: 1533072
CIF file	Formula: - Ba1.51 H24.9 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 - Comments: Rozenberg, K.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Chukanov, N.V. Crystal structure of the new mineral tsepinite-K Doklady Akad. Nauk 386 (2002) 345-349 Space group: C 1 m 1 Cell volume: 1371.8 Cell parameters: 14.326; 13.802; 7.783; 90; 116.949; 90;

COD ID: 1533092
CIF file	Formula: - Al8.7 Cd4.36 H58.16 O101.08 Si27.3 - Comments: Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials 61 (2003) 85-103 Space group: C 1 m 1 Cell volume: 2129.26 Cell parameters: 17.721; 18.035; 7.429; 90; 116.26; 90;

COD ID: 1533093
CIF file	Formula: - Al8.7 Cd4.15 H53.84 O98.92 Si27.3 - Comments: Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials 61 (2003) 85-103 Space group: C 1 m 1 Cell volume: 2124.13 Cell parameters: 17.719; 18.008; 7.428; 90; 116.337; 90;

COD ID: 1533094
CIF file	Formula: - Al8.7 Cd4.02 H51.16 O97.58 Si27.3 - Comments: Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials 61 (2003) 85-103 Space group: C 1 m 1 Cell volume: 2086.2 Cell parameters: 17.647; 17.831; 7.407; 90; 116.48; 90;

COD ID: 1533095
CIF file	Formula: - Al8.7 Cd4.05 H26.12 O85.06 Si27.3 - Comments: Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials 61 (2003) 85-103 Space group: C 1 m 1 Cell volume: 2049.92 Cell parameters: 17.65; 17.525; 7.4355; 90; 116.963; 90;

COD ID: 1533949

Formula: - Ni7 O24 P6 Tl4 -
Comments: Panahandeh, A.; Jung, W. The oxidation of heterogeneous Tl/Ni/P alloys - preparation and crystal structures of the thallium nickel phosphates Tl Ni4 (P O4)3, Tl4 Ni7 (P O4)6 and Tl2 Ni4 (P2 O7) (P O4)2 Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1651-1660
Space group: C 1 m 1
Cell volume: 994.338
Cell parameters: 10.711; 14.275; 6.688; 90; 103.5; 90;

COD ID: 1534632

Formula: - Pr8.303 Sb20.03 -
Comments: Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry 173 (2003) 259-272
Space group: C 1 m 1
Cell volume: 1645.2
Cell parameters: 28.591; 4.263; 13.561; 90; 95.52; 90;

COD ID: 1534635

Formula: - Nd8.303 Sb19.98 -
Comments: Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry 173 (2003) 259-272
Space group: C 1 m 1
Cell volume: 1619.06
Cell parameters: 28.452; 4.247; 13.459; 90; 95.42; 90;

COD ID: 1535634
CIF file	Formula: - C4 H4 Er2 O12 - Comments: Mueller-Buschbaum, K. Er2 (C O3)2 (C2 O4) (H2 O)2 Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1761-1764 Space group: C 1 m 1 Cell volume: 548.673 Cell parameters: 7.7734; 14.92; 4.7308; 90; 90.12; 90;

COD ID: 1535663

Formula: - H10 Mo3 N2 O S13 -
Comments: Mueller, A.; Wittneben, V.; Krickemeyer, E.; Lemke, M.; Boegge, H. Studies on the Triangular Cluster (Mo3S13)(2-): Electronic Structure (Xalpha Calculations, XPS), Crystal Structure of (Ph4As)2(Mo3S13)*2CH3CN and a Refinement of the Crystal Structure of (NH4)2(Mo3S13)*H2O Zeitschrift fuer Anorganische und Allgemeine Chemie 605 (1991) 175-188
Space group: C 1 m 1
Cell volume: 972.985
Cell parameters: 11.649; 16.444; 5.729; 90; 117.55; 90;

COD ID: 1535719
CIF file	Formula: - C K N - Comments: Decker, D.L.; Beyerlein, R.A.; Worlton, T.G.; Roult, G. Neutron diffraction study of K C N-III and K C N-IV at high pressure Physical Review, Serie 3. B - Solid State (1,1970-17,1977) 10 (1974) 3584-3593 Space group: C 1 m 1 Cell volume: 107.522 Cell parameters: 5.5307; 5.2093; 3.7431; 90; 85.58; 90;

COD ID: 1535792
CIF file	Formula: - Cl4 Cs2 O2 U - Comments: Tutov, A.G.; Usov, O.A.; Plakhtii, V.P.; Chernenkov, Yu.P.; Bublyaev, R.A. Neutron diffraction refinement of the structure of a nonlinear optical crystal of dicesium uranyltetrachloride Cs2 U O2 Cl4 Kristallografiya 36 (1991) 1135-1138 Space group: C 1 m 1 Cell volume: 532.342 Cell parameters: 12.005; 7.697; 5.85; 90; 100; 90;

COD ID: 1535798
CIF file	Formula: - B3 Ca4 Gd O10 - Comments: Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii 38 (1993) 917-920 Space group: C 1 m 1 Cell volume: 453.379 Cell parameters: 8.104; 16.03; 3.5584; 90; 101.25; 90;

COD ID: 1535824

Formula: - C2 H12 F6 N6 Ti -
Comments: Calov, U.; Schneider, M.; Leibnitz, P. Guanidiniumhexafluorometallate von Titan, Silicium, Germanium und Zinn. Guanidiniumpentafluorooxoniobat und Guanidiniumtetrafluorodioxowolframat Zeitschrift fuer Anorganische und Allgemeine Chemie 604 (1991) 77-83
Space group: C 1 m 1
Cell volume: 539.6
Cell parameters: 12.869; 7.378; 6.243; 90; 114.45; 90;

COD ID: 1536548
CIF file	Formula: - B6 Ca8 O20 Sm2 - Comments: Khamaganova, T.N.; Trunov, V.K.; Dzhurinskii, B.F. Crystal structure of calcium samarium double oxoborate Sm2Ca8O2(BO3)6 Zhurnal Neorganicheskoi Khimii 36 (1991) 855-857 Space group: C 1 m 1 Cell volume: 459.452 Cell parameters: 8.132; 16.081; 3.583; 90; 101.31; 90;

COD ID: 1536850
CIF file	Formula: - Ba H2 Mn2 O10 Si2 Ti - Comments: Rastsvetaeva, R.K.; Tamazyan, R.A.; Belakovskii, D.I.; Sokolova, E.V. Crystal structures of two modifications of natural Ba, Mn-titanium silicate. Kristallografiya 36 (1991) 354-360 Space group: C 1 m 1 Cell volume: 1613.03 Cell parameters: 10.7232; 13.812; 12.563; 90; 119.9; 90;

COD ID: 1537005
CIF file	Formula: - O14 Ru3 Sn15 - Comments: Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J. Condensed Ru Sn6 octahedra in Ru3 Sn15 O14 Angewandte Chemie (Edition international) 34 (1995) 2113-2114 Space group: C 1 m 1 Cell volume: 1072.25 Cell parameters: 12.39; 7.074; 12.908; 90; 108.6; 90;

COD ID: 1537624
CIF file	Formula: - Al2 Ca1.23 H12 O24 Si7 - Comments: Alberti, A. On the crystal structure of the zeolite heulandite Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 18 (1972) 129-146 Space group: C 1 m 1 Cell volume: 2109.4 Cell parameters: 17.718; 17.897; 7.428; 90; 116.42; 90;

COD ID: 1539634
CIF file	Formula: - As3 Cr4 - Comments: Baurecht, H.E.; Nowotny, H.; Boller, H. The crystal structure of Cr4 As3 Monatshefte fuer Chemie (-108,1977) 101 (1970) 1696-1703 Space group: C 1 m 1 Cell volume: 424.073 Cell parameters: 13.168; 3.542; 9.302; 90; 102.19; 90;

COD ID: 1539969
CIF file	Formula: - Mn2 O7 P1.09 V0.91 - Comments: Yakubovich, O.V.; Anan'eva, E.N.; Dimitrova, O.V. Crystal structure of the solid solution Mn2 (Px V1-x) (Vy P1-y) O7 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 26 (2000) 586-591 Space group: C 1 m 1 Cell volume: 242.652 Cell parameters: 6.794; 8.621; 4.271; 90; 104.07; 90;

COD ID: 1540241
CIF file	Formula: - Se7 Y4.68 - Comments: Kim, S.-J.; Franzen, H.F. The crystal structure of a new phase in the Y - Se system Journal of the Less-Common Metals 138 (1988) L29-L32 Space group: C 1 m 1 Cell volume: 607.074 Cell parameters: 13.213; 3.949; 12.035; 90; 104.82; 90;

COD ID: 1540704
CIF file	Formula: - Ca3 O5 Si - Comments: Mumme, W.G. Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis N. Jb. Miner. Mh 4 (1995) 145-160 Space group: C 1 m 1 Cell volume: 721.279 Cell parameters: 12.235; 7.073; 9.298; 90; 116.31; 90;

COD ID: 1540705
CIF file	Formula: - Ca3 O5 Si - Comments: de la Torre, A.G.; Bruque, S.; Campo, J.; Aranda, M.A.G. The superstructure of C3S from synchrotron and neutron powder diffraction and its role in quantitative phase analyses Cement and Concrete Research 32 (2002) 1347-1356 Space group: C 1 m 1 Cell volume: 4302.88 Cell parameters: 33.1078; 7.0355; 18.5211; 90; 94.137; 90;

COD ID: 1540899

Formula: - Ce1.18 Cl3.63 La2 O6 Ta -
Comments: Schaffrath, U.; Gruehn, R. Zur Praeparation und zum thermischen Verhalten von Ln2 CeTaO6Cl3 (Ln= La-Nd) und Ce3TaO5(OH)Cl3 sowie zur Struktur und Phasenbreite des thermischen Abbauproduktes "La2(Cex)(3+) (Ce1-x)(4+)TaO6Cl3-x" Zeitschrift fuer Anorganische und Allgemeine Chemie 589 (1990) 139-157
Space group: C 1 m 1
Cell volume: 1800.95
Cell parameters: 35.283; 5.429; 9.517; 90; 98.92; 90;

COD ID: 1543299

Formula: - C39 H56 Cl3 Ga Ge N4 O2 Se2 -
Comments: Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci. 7(8) (2016) 5462
Space group: C 1 m 1
Cell volume: 2555.76
Cell parameters: 16.2434; 21.8215; 7.6828; 90; 110.197; 90;

COD ID: 1543302

Formula: - C39 H56 Cl3 Ga Ge N4 O2 S2 -
Comments: Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci. 7(8) (2016) 5462
Space group: C 1 m 1
Cell volume: 2529.32
Cell parameters: 16.323; 21.5944; 7.6252; 90; 109.772; 90;

COD ID: 1544071
CIF file	Formula: - C10 H7 Ag2 Fe N7 - Comments: Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate New J. Chem. 40(11) (2016) 9012 Space group: C 1 m 1 Cell volume: 675.8 Cell parameters: 6.734; 12.536; 9.12; 90; 118.622; 90;

COD ID: 1548892

Formula: - Al4 Cr -
Comments: Fan, Changzeng; Liu, Cong Crystal structure of ω-Al~4~Cr IUCrData 3(2) (2018) x180216
Space group: C 1 m 1
Cell volume: 451.49
Cell parameters: 5.1574; 17.413; 5.1107; 90; 100.357; 90;

COD ID: 1548974
CIF file	Formula: - H4 Mg0.24 Ni2.76 O9 Si2 - Comments: Brindley, G. W.; Wan, H. M. Composition, structures, and thermal behavior of nickel-containing minerals in the lizardite-nepouite series American Mineralogist 60 (1975) 863-871 Space group: C 1 m 1 Cell volume: 352 Cell parameters: 5.29; 9.17; 7.26; 90; 90; 90;

COD ID: 1549986

Formula: - C Cs3 O8 V -
Comments: Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min Cs3VO(O2)2CO3: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response. Chemical science 9(48) (2018) 8957-8961
Space group: C 1 m 1
Cell volume: 491.7
Cell parameters: 9.447; 10.129; 6.1571; 90; 123.42; 90;

COD ID: 1551030
CIF file	Formula: - C201 H227 N18 Ni3 - Comments: Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals Chemical Science (2019) Space group: C 1 m 1 Cell volume: 8847 Cell parameters: 24.352; 26.043; 16.592; 90; 122.777; 90;

COD ID: 1552762

Formula: - C137 H190 Ag46 O76 S38 V10 -
Comments: Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale 11(22) (2019) 10927-10931
Space group: C 1 m 1
Cell volume: 12391.3
Cell parameters: 25.751; 30.6808; 19.5302; 90; 126.577; 90;

COD ID: 1558443
CIF file	Formula: - H2 K O3 P S - Comments: Janickis, Vitalijus; Maroy, Kjartan The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6 Acta Chemica Scandinavica 48 (1994) 461-464 Space group: C 1 m 1 Cell volume: 230.37 Cell parameters: 6.549; 6.317; 5.894; 90; 109.13; 90;

COD ID: 1559526
CIF file	Formula: - Al13 S21 Tl3 - Comments: Krebs, Bernt; Greiwing, Horst Preparation and Crystal Structure of Tl3Al13S21, A Novel Ternary Sulfide Structure Type Acta Chemica Scandinavica 45 (1991) 833-839 Space group: C 1 m 1 Cell volume: 3381.7 Cell parameters: 25.242; 14.9; 9.259; 90; 103.81; 90;

COD ID: 1562284
CIF file	Formula: - Ag1.75 In Sb5.75 Se11 - Comments: Hao, Wenyu; Han, Yemao; Huang, Rongjin; Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with congruent-melting behavior Journal of Solid State Chemistry 218 (2014) 196-201 Space group: C 1 m 1 Cell volume: 1010.59 Cell parameters: 13.4191; 4.0844; 19.1652; 90; 105.83; 90;

COD ID: 1564457

Formula: - B4 Cu H24 N4 O13 -
Comments: Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T. Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals Inorganica Chimica Acta 509 (2020) 119693
Space group: C 1 m 1
Cell volume: 2198.3
Cell parameters: 10.419; 27.922; 8.106; 90; 111.222; 90;

COD ID: 1564885

Formula: - C10 H13 Cu N5 O4 S2 -
Comments: Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L. Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion Inorganica Chimica Acta 507 (2020) 119568
Space group: C 1 m 1
Cell volume: 755.59
Cell parameters: 12.6665; 12.41; 4.8699; 90; 99.2339; 90;

COD ID: 1566885

Formula: - C H N O S -
Comments: Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability Chemical Science (2022)
Space group: C 1 m 1
Cell volume: 11971.5
Cell parameters: 9.1813; 32.2736; 40.651; 90; 96.354; 90;

COD ID: 2001888
CIF file Original IUCr paper	Formula: - C6 H8 Br N - Comments: Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A. Structure of 4-methylpyridinium bromide Acta Crystallographica Section C 49(3) (1993) 548-550 Space group: C 1 m 1 Cell volume: 349.4 Cell parameters: 8.785; 8.318; 4.92; 90; 103.62; 90;

COD ID: 2002438
CIF file	Formula: - Mn2 O20 Ta6 Zn3 - Comments: Rohweder, U; Muelle-Buschbaum, Hk Zur Kristallchemie der Oxotantalate. IV. Zur Kenntnis der metastabilen Hochtemperaturverbindung Mn2 Zn3 Ta6 O20 Journal of the Less-Common Metals 152 (1989) 7-13 Space group: C 1 m 1 Cell volume: 372.8 Cell parameters: 5.2; 14.468; 4.955; 90; 90; 90;

COD ID: 2003118
CIF file Original IUCr paper	Formula: - C19 Er10 Ru10 - Comments: Hoffmann, R.-D.; Jeitschko, W. The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~ Acta Crystallographica Section B 54(6) (1998) 834-850 Space group: C 1 m 1 Cell volume: 980.5 Cell parameters: 14.578; 7.2194; 10.004; 90; 111.36; 90;

COD ID: 2005078
CIF file Original IUCr paper	Formula: - C6 H9 N S - Comments: Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M. 4-Methylpyridinium Hydrogen Sulfide Acta Crystallographica Section C 52(7) (1996) 1701-1702 Space group: C 1 m 1 Cell volume: 329.64 Cell parameters: 8.679; 7.964; 4.86; 90; 101.1; 90;

COD ID: 2005895
CIF file Original IUCr paper	Formula: - O14 Os3 Sn15 - Comments: Söhnel, T.; Reichelt, W. Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern Acta Crystallographica Section C 53(1) (1997) 9-11 Space group: C 1 m 1 Cell volume: 1078.7 Cell parameters: 12.399; 7.09; 12.939; 90; 108.49; 90;

COD ID: 2006911
CIF file Original IUCr paper	Formula: - Co7 Na4 O24 P6 - Comments: Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~ Acta Crystallographica Section C 54(1) (1998) 7-9 Space group: C 1 m 1 Cell volume: 941.38 Cell parameters: 10.506; 14.39; 6.471; 90; 105.79; 90;

COD ID: 2007733

Formula: - C20 H44 Cl3 Cu N4 Na O20 -
Comments: Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-O)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate Acta Crystallographica Section C 54(10) (1998) 1389-1393
Space group: C 1 m 1
Cell volume: 1842.06
Cell parameters: 12.6528; 25.849; 5.7717; 90; 102.626; 90;

COD ID: 2009875
CIF file Original IUCr paper	Formula: - C H6 N4 O3 - Comments: Katrusiak, A.; Szafrański, M. Guanidinium nitrate Acta Crystallographica Section C 50(7) (1994) 1161-1163 Space group: C 1 m 1 Cell volume: 287.5 Cell parameters: 12.686; 7.274; 3.629; 90; 120.85; 90;

COD ID: 2015114

Formula: - C13 H6 O4 S5 -
Comments: Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng 4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione Acta Crystallographica Section C 61(10) (2005) o583-o585
Space group: C 1 m 1
Cell volume: 767.8
Cell parameters: 7.2228; 24.518; 5.033; 90; 120.521; 90;

COD ID: 2016362

Formula: - Nb0.61 O3 Pb Ti0.08 Zn0.31 -
Comments: Forrester, Jennifer S.; Kisi, Erich H. Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K Acta Crystallographica Section C 63(12) (2007) i115-i118
Space group: C 1 m 1
Cell volume: 132.996
Cell parameters: 5.7461; 5.7278; 4.0409; 90; 90.155; 90;

COD ID: 2018872
CIF file	Formula: - B3 Ca5 F O9 - Comments: Huang, Q.; Zheng, Y.; Lei, S.; Chen, C.; Jiang, A. Structure of calcium fluoroborate, Ca5 (B O3)3 F Acta Crystallographica C (39,1983-) 45 (1989) 1861-1863 Space group: C 1 m 1 Cell volume: 453.372 Cell parameters: 8.129; 16.051; 3.539; 90; 100.94; 90;

COD ID: 2021827

Formula: - C19 H24 N6 O6 -
Comments: Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns Acta Crystallographica Section C 75(12) (2019)
Space group: C 1 m 1
Cell volume: 1016.52
Cell parameters: 7.2053; 25.253; 6.5134; 90; 120.939; 90;

COD ID: 2100080
CIF file Original IUCr paper	Formula: - C38 H39 Mo N O4 P2 - Comments: Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B 61(3) (2005) 359-359 Space group: C 1 m 1 Cell volume: 1791.3 Cell parameters: 13.796; 16.637; 9.462; 90; 124.43; 90;

COD ID: 2105071

Formula: - C5 H6 Cl Cr N O3 -
Comments: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B 68(2) (2012) 128-136
Space group: C 1 m 1
Cell volume: 420.74
Cell parameters: 7.7193; 8.6842; 6.3139; 90; 96.25; 90;

COD ID: 2105988

Formula: - Fe3.539 H4 O9 Si1.461 -
Comments: Hybler, Jiří Refinement of cronstedtite-1M Acta Crystallographica Section B 70(6) (2014) 963-972
Space group: C 1 m 1
Cell volume: 372.3
Cell parameters: 5.5033; 9.5289; 7.3328; 90; 104.493; 90;

COD ID: 2106048
CIF file	Formula: - Cu1.82 O11 V4 - Comments: Galy, J.; Lavaud, D. Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1005-1009 Space group: C 1 m 1 Cell volume: 400.254 Cell parameters: 15.38; 3.61; 7.37; 90; 102; 90;

COD ID: 2107231
CIF file	Formula: - La2.98364 Mn S5.45455 - Comments: Collin, G.; Laruelle, P. Structure cristalline de La32,66 M11 S6 (M= Mn, Fe) Acta Crystallographica B (24,1968-38,1982) 30 (1974) 1134-1139 Space group: C 1 m 1 Cell volume: 2496.98 Cell parameters: 16.65; 14.082; 17.82; 90; 143.3; 90;

COD ID: 2108260
CIF file HKL data	Formula: - Cu0.184 F3 H8 Mg0.816 O12 U3 - Comments: Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B 74(4) (2018) Space group: C 1 m 1 Cell volume: 676.98 Cell parameters: 7.1015; 11.7489; 8.1954; 90; 98.087; 90;

COD ID: 2202397

Formula: - C29 H42 Cs2 N4 O6 -
Comments: Liddle, Stephen T.; Clegg, William Polymeric (18-crown-6)bis(2-amidopyridinecaesium) toluene solvate Acta Crystallographica Section E 59(11) (2003) m1062-m1064
Space group: C 1 m 1
Cell volume: 1686.1
Cell parameters: 13.0109; 17.372; 7.8427; 90; 107.979; 90;

COD ID: 2203622

Formula: - C22 H32 N2 O -
Comments: Deschamps, Jeffrey R.; Parrish, Damon; Zaveri, Nurulain T.; Jiang, Faming 1-[1-(trans-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands Acta Crystallographica Section E 60(5) (2004) o791-o792
Space group: C 1 m 1
Cell volume: 938.55
Cell parameters: 7.9959; 6.8268; 17.2125; 90; 92.67; 90;

COD ID: 2216814

Formula: - C12 H12 K2 O8 S2 -
Comments: Graham Smith; Urs D. Wermuth; Peter C. Healy Dipotassium biphenyl-4,4'-disulfonate dihydrate: a coordination polymer Acta Crystallographica Section E 63(12) (2007) m3056-m3057
Space group: C 1 m 1
Cell volume: 1658.7
Cell parameters: 5.8316; 19.691; 14.623; 90; 98.953; 90;

COD ID: 2217992

Formula: - C55 H40 Cl F9 O P3 Rh -
Comments: Lorenzini, Fabio; Patrick, Brian O.; James, Brian R. Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate Acta Crystallographica Section E 64(4) (2008) m512-m513
Space group: C 1 m 1
Cell volume: 2403
Cell parameters: 10.831; 23.724; 9.845; 90; 108.213; 90;

COD ID: 2242413

Formula: - C5.33333 H8.33333 Br Cl I N2 -
Comments: Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides Acta Crystallographica Section E 74(4) (2018) 497-501
Space group: C 1 m 1
Cell volume: 1546.2
Cell parameters: 13.9135; 21.9492; 6.4529; 90; 128.314; 90;

COD ID: 2242690

Formula: - C15 H19 Co N2 O6 -
Comments: Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of trans-bis(acetylacetonato-O,O')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E 74(11) (2018) 1637-1642
Space group: C 1 m 1
Cell volume: 847.1
Cell parameters: 8.1971; 13.942; 7.4148; 90; 91.588; 90;

COD ID: 2242691

Formula: - C16 H21 Co N2 O6 -
Comments: Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki Investigation of nitro‒nitrito photoisomerization: crystal structures of trans-bis(acetylacetonato-O,O')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III) Acta Crystallographica Section E 74(11) (2018) 1637-1642
Space group: C 1 m 1
Cell volume: 905.17
Cell parameters: 8.2459; 13.9603; 7.9222; 90; 96.997; 90;

COD ID: 2243818

Formula: - As H O7 Te Zn2 -
Comments: Eder, Felix; Weil, Matthias Crystal structure of Zn~2~(HTeO~3~)(AsO~4~) Acta Crystallographica Section E 77(5) (2021) 555-558
Space group: C 1 m 1
Cell volume: 299.43
Cell parameters: 6.904; 7.7212; 5.726; 90; 101.196; 90;

COD ID: 2300580
CIF file	Formula: - D V2 - Comments: Westlake, D.G.; Mueller, M.H.; Knott, H.W. Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system Journal of Applied Crystallography 6 (1973) 206-216 Space group: C 1 m 1 Cell volume: 59.4 Cell parameters: 4.46; 3; 4.46; 90; 95.5; 90;

COD ID: 3000307

Formula: - B3 Ca4 Dy O10 -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 450.63
Cell parameters: 8.0865; 16.0374; 3.54201; 90; 101.184; 90;

COD ID: 3000308

Formula: - B3 Ca4 Er O10 -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 444.62
Cell parameters: 8.05839; 15.9814; 3.51846; 90; 101.115; 90;

COD ID: 3000309

Formula: - B3 Ca4 Gd O10 -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 452.15
Cell parameters: 8.0942; 16.0133; 3.55682; 90; 101.254; 90;

COD ID: 3000310

Formula: - B3 Ca4 La O10 -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 468.7
Cell parameters: 8.1844; 16.0893; 3.6306; 90; 101.369; 90;

COD ID: 3000311

Formula: - B3 Ca4 Nd O10 -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 459.41
Cell parameters: 8.11934; 16.043; 3.59765; 90; 101.378; 90;

COD ID: 3000312

Formula: - B3 Ca4 O10 Sm -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 459.27
Cell parameters: 8.1267; 16.0711; 3.5862; 90; 101.315; 90;

COD ID: 3000313

Formula: - B3 Ca4 O10 Y -
Comments: Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La) Journal of Applied Physics 130(9) (2021) 095102
Space group: C 1 m 1
Cell volume: 447.4
Cell parameters: 8.0737; 16.0088; 3.52827; 90; 101.166; 90;

COD ID: 3000496
CIF file is on hold until 2024-09-12	Formula: - Co O2 - Comments: Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties To be published in Advanced Materials Interfaces () Space group: C 1 m 1 Cell volume: 60.696 Cell parameters: 4.83; 2.82; 4.5; 90; 98; 90;

COD ID: 4000077
CIF file	Formula: - C75 H84 N9 O9 S3 - Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018 Space group: C 1 m 1 Cell volume: 6994.3 Cell parameters: 13.854; 77.733; 7.5814; 90; 121.055; 90;

COD ID: 4001055
CIF file	Formula: - C2 H12 Co3 N2 O14 S3 - Comments: Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D. Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity Chemistry of Materials 21(18) (2009) 4102 Space group: C 1 m 1 Cell volume: 2080.81 Cell parameters: 11.6795; 19.9926; 8.9249; 90; 93.168; 90;

COD ID: 4001738
CIF file	Formula: - B3 Ca4 O10 Sm - Comments: Nygren, M.; Bovin, J.O.; Norrestam, R. Structural investigations of new calcium-rare earth (R) oxyborates with the composition Ca4RO(BO3)3 Chemistry of Materials (1,1989-) 4 (1992) 737-743 Space group: C 1 m 1 Cell volume: 457.242 Cell parameters: 8.114; 16.061; 3.579; 90; 101.38; 90;

COD ID: 4001759

Formula: - C7 F N2 O24 Si12 -
Comments: Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A. Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW Chemistry of Materials 25(5) (2013) 729
Space group: C 1 m 1
Cell volume: 1331.41
Cell parameters: 10.498797; 14.91631; 8.846944; 90; 106.057; 90;

COD ID: 4002530

Formula: - Co1.8 O6.6 Pb0.83 Sr2.26 -
Comments: Pelloquin, D.; Maignan, A.; Hervieu, M.; Hebert, S.; Martin, C.; Michel, C.; Wang, L.-B.; Raveau, B. New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with large thermopower Chemistry of Materials (1,1989-) 14 (2002) 3100-3105
Space group: C 1 m 1
Cell volume: 1430.04
Cell parameters: 4.9432; 25.134; 11.617; 90; 97.78; 90;

COD ID: 4002747

Formula: - C57 H36 N12 Ni3 O18 -
Comments: Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials 29(9) (2017) 3899
Space group: C 1 m 1
Cell volume: 6052
Cell parameters: 16.384; 28.376; 13.079; 90; 95.57; 90;

COD ID: 4003232

Formula: - C3 Ca2 F Na3 O9 -
Comments: Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials 28(7) (2016) 2301
Space group: C 1 m 1
Cell volume: 444.32
Cell parameters: 8.0892; 15.9002; 3.5273; 90; 101.662; 90;

COD ID: 4003384
CIF file	Formula: - C2 H12 F N6 O3 P - Comments: Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials Chemistry of Materials 30(21) (2018) 7823 Space group: C 1 m 1 Cell volume: 983.54 Cell parameters: 13.2025; 7.2951; 11.7574; 90; 119.71; 90;

COD ID: 4003665

Formula: - Bi2 F2 O9 Rb2 Se3 -
Comments: Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials (2020)
Space group: C 1 m 1
Cell volume: 601.8
Cell parameters: 13.096; 5.955; 7.727; 90; 92.877; 90;

COD ID: 4003666

Formula: - Bi2 F2 K2 O9 Se3 -
Comments: Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps Chemistry of Materials (2020)
Space group: C 1 m 1
Cell volume: 577.07
Cell parameters: 12.8396; 5.8831; 7.6506; 90; 93.076; 90;

COD ID: 4022639

Formula: - C391 H66 Cl18 O10 -
Comments: Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~ Journal of Organic Chemistry 72 (2007) 2724-2731
Space group: C 1 m 1
Cell volume: 10887
Cell parameters: 20.31; 20.105; 27.042; 90; 99.637; 90;

COD ID: 4029287
CIF file	Formula: - C39 H39 N9 - Comments: Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics. The Journal of organic chemistry 79(8) (2014) 3559-3571 Space group: C 1 m 1 Cell volume: 3266.6 Cell parameters: 7.6467; 24.339; 17.615; 90; 94.85; 90;

COD ID: 4029707
CIF file	Formula: - C16 H20 N4 O2 - Comments: Sell, Hanno; Näther, Christian; Herges, Rainer Amino-substituted diazocines as pincer-type photochromic switches. Beilstein journal of organic chemistry 9 (2013) 1-7 Space group: C 1 m 1 Cell volume: 880.7 Cell parameters: 5.1513; 25.835; 6.7094; 90; 99.501; 90;

COD ID: 4030523

Formula: - H10 Mo3 N2 O S13 -
Comments: Muller, A.; Diemann, E.; Krickemeyer, E.; Walberg, H.-J.; Bogge, H.; Armatage, A. [MO3IVS(S2)6]2- from amorphous MoS3 by the reaction with OH- and R = 0.015 structure of (NH4)2[MO3IVS(S2)6].H2O European Journal of Solid State and Inorganic Chemistry 30 (1993) 565-572
Space group: C 1 m 1
Cell volume: 971.7
Cell parameters: 11.613; 16.468; 5.722; 90; 117.38; 90;

COD ID: 4030525
CIF file	Formula: - F14 Sr4 Zn3 - Comments: Karim, M.; El-Ghozzi, M.; Latouche, C.; Avignant, D. Crystal structure of Sr4Zn3F14 : a new stoichiometry in MF2-M'F2 systems European Journal of Solid State and Inorganic Chemistry 30 (1993) 595-607 Space group: C 1 m 1 Cell volume: 566.5 Cell parameters: 6.743; 11.683; 7.191; 90; 90.02; 90;

COD ID: 4032789

Formula: - C6 H9 N3 O2 -
Comments: Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry 82(17) (2017) 8864-8872
Space group: C 1 m 1
Cell volume: 369.608
Cell parameters: 7.693; 6.6662; 7.3655; 90; 101.9; 90;

COD ID: 4060377
CIF file	Formula: - C15 H26 Ru S3 - Comments: Hon Man Lee Organometallics (2005) Space group: C 1 m 1 Cell volume: 857 Cell parameters: 8.94; 14.049; 8.0857; 90; 122.452; 90;

COD ID: 4068113
CIF file	Formula: - C13 H11 Br2 N2 Sb - Comments: Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P. Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases? Organometallics 31(3) (2012) 1025 Space group: C 1 m 1 Cell volume: 709.6 Cell parameters: 7.7806; 16.546; 5.5726; 90; 98.455; 90;

COD ID: 4073996
CIF file	Formula: - C50 H74 B3 Cl5 F12 N6 Ru4 - Comments: Viciano, Mónica; Sanaú, Mercedes; Peris, Eduardo Ruthenium Janus-Head Complexes with a Triazolediylidene Ligand. Structural Features and Catalytic Applications Organometallics 26(24) (2007) 6050 Space group: C 1 m 1 Cell volume: 3407.1 Cell parameters: 20.6064; 15.2933; 11.5848; 90; 111.056; 90;

COD ID: 4079766
CIF file	Formula: - C26 H39 Ca I O4 - Comments: Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides Organometallics 31(24) (2012) 8647 Space group: C 1 m 1 Cell volume: 1348.27 Cell parameters: 12.1149; 13.5272; 8.3474; 90; 99.737; 90;

COD ID: 4081429

Formula: - C16 H37 Cl4 N Ni P2 -
Comments: Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H. Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole Organometallics 32(18) (2013) 5153
Space group: C 1 m 1
Cell volume: 1171.28
Cell parameters: 11.4524; 14.56303; 7.24125; 90; 104.109; 90;

COD ID: 4085839

Formula: - C54 H110 N2 Os2 P4 -
Comments: Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A. Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH Organometallics 34(10) (2015) 1898
Space group: C 1 m 1
Cell volume: 3119
Cell parameters: 15.461; 17.256; 11.892; 90; 100.563; 90;

COD ID: 4088189

Formula: - C16 H36 Pb Si4 -
Comments: Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz Pyramidanes: The Covalent Form of the Ionic Compounds Organometallics 35(3) (2016) 346
Space group: C 1 m 1
Cell volume: 1160.2
Cell parameters: 11.7157; 17.054; 6.2809; 90; 112.405; 90;

COD ID: 4101859

Formula: - B3 Bi Cd4 O10 -
Comments: Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures Journal of the American Chemical Society 132 (2010) 1508-1509
Space group: C 1 m 1
Cell volume: 439.7
Cell parameters: 8.044; 15.913; 3.4891; 90; 100.08; 90;

COD ID: 4112882
CIF file	Formula: - O48 Si24 - Comments: Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society 126 (2004) 10403-10409 Space group: C 1 m 1 Cell volume: 1326.76 Cell parameters: 10.336; 15.0177; 8.8639; 90; 105.356; 90;

COD ID: 4112883
CIF file	Formula: - C6 F N2 O24 Si12 - Comments: Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12 Journal of the American Chemical Society 126 (2004) 10403-10409 Space group: C 1 m 1 Cell volume: 1330.34 Cell parameters: 10.44783; 14.9854; 8.83659; 90; 105.935; 90;

COD ID: 4114343
CIF file	Formula: - C16 H36 Cl2 F2 P2 Pd - Comments: Anette Yahav; Israel Goldberg; Arkadi Vigalok Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes Journal of the American Chemical Society 125 (2003) 13634-13635 Space group: C 1 m 1 Cell volume: 1060.71 Cell parameters: 10.955; 14.568; 6.737; 90; 99.408; 90;

COD ID: 4119946
CIF file	Formula: - C16 H36 Si4 Sn - Comments: Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev Pyramidanes Journal of the American Chemical Society 135 (2013) 8794-8797 Space group: C 1 m 1 Cell volume: 1167.9 Cell parameters: 11.742; 17.046; 6.316; 90; 112.5; 90;

COD ID: 4124116
CIF file	Formula: - C10 F2 N4 O48 Si24 - Comments: Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y. Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12 Journal of the American Chemical Society 126 (2004) 10403-10409 Space group: C 1 m 1 Cell volume: 1330.33 Cell parameters: 10.44783; 14.9854; 8.83659; 90; 105.935; 90;

COD ID: 4130988
CIF file	Formula: - C64 H72 Au8 F24 N30 P4 - Comments: Altmann, Philipp J.; Pöthig, Alexander Pillarplexes: A Metal-Organic Class of Supramolecular Hosts. Journal of the American Chemical Society 138(40) (2016) 13171-13174 Space group: C 1 m 1 Cell volume: 9417 Cell parameters: 29.525; 23.121; 14.177; 90; 103.333; 90;

COD ID: 4134134
CIF file	Formula: - C4 H9 Cl N8 O2 - Comments: Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials. Journal of the American Chemical Society (2020) Space group: C 1 m 1 Cell volume: 930.3 Cell parameters: 12.876; 19.258; 3.752; 90; 90.828; 90;

COD ID: 4134813

Formula: - C7 H21 Br7 N4 Pb2 -
Comments: Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G. Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb2Br7. Journal of the American Chemical Society (2020)
Space group: C 1 m 1
Cell volume: 1146.3
Cell parameters: 8.4615; 8.465; 16.004; 90; 89.99; 90;

COD ID: 4305720

Formula: - C12 H16 Cl3 N8 Os -
Comments: Iryna Stepanenko; Artem A. Krokhin; Roland O. John; Alexander Roller; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity In Vitro of Novel Osmium(III) Complexes with Azole Heterocycles Inorganic Chemistry 47 (2008) 7338-7347
Space group: C 1 m 1
Cell volume: 935.6
Cell parameters: 11.229; 12.259; 7.008; 90; 104.11; 90;

COD ID: 4307287

Formula: - C23 H39 B Cl7 Co N9 -
Comments: Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate Inorganic Chemistry 46 (2007) 360-362
Space group: C 1 m 1
Cell volume: 1859.2
Cell parameters: 9.6047; 21.543; 9.32; 90; 105.398; 90;

COD ID: 4310272
CIF file	Formula: - C14 H6 Ag N7 O3 - Comments: Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI Inorganic Chemistry 43 (2004) 181-188 Space group: C 1 m 1 Cell volume: 765.16 Cell parameters: 7.3277; 25.005; 5.3681; 90; 128.929; 90;

COD ID: 4311225

Formula: - C39 H80 Cl2 N13 O20 P Zn4 -
Comments: Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases Inorganic Chemistry 43 (2004) 4189-4202
Space group: C 1 m 1
Cell volume: 3040.3
Cell parameters: 17.586; 14.211; 12.943; 90; 109.96; 90;

COD ID: 4313843
CIF file	Formula: - C32 H70 Li2 N6 O2 P2 - Comments: Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage Inorganic Chemistry 42 (2003) 3994-4005 Space group: C 1 m 1 Cell volume: 2022.2 Cell parameters: 11.917; 16.255; 11.025; 90; 108.76; 90;

COD ID: 4314415
CIF file	Formula: - C8 H6 Ag F6 N4 O P S - Comments: Chong-Qing Wan; Liang Zhao; Thomas C. W. Mak Dipyrazinyl Sulfoxide Complexes of Silver(I), Zinc(II), and Cadmium(II): Ligation Modes and Anion Tuning Inorganic Chemistry 49 (2010) 97-107 Space group: C 1 m 1 Cell volume: 631.57 Cell parameters: 11.0769; 10.2263; 6.0199; 90; 112.153; 90;

COD ID: 4318258
CIF file	Formula: - C6 Ge10 N4 O22 - Comments: Lionel Beitone; Thierry Loiseau; Gérard Férey Hydrothermal Synthesis and Structural Characterization of a New Organically Templated Germanate, Ge10O21(OH).N4C6H21 Inorganic Chemistry 41 (2002) 3962-3966 Space group: C 1 m 1 Cell volume: 1306.06 Cell parameters: 14.0495; 12.8058; 9.2637; 90; 128.406; 90;

COD ID: 4320514

Formula: - C24 H43 Cl7 Fe3 Mo N3 O2 S4 -
Comments: Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters Inorganic Chemistry 40 (2001) 5985-5999
Space group: C 1 m 1
Cell volume: 2008.9
Cell parameters: 13.09; 19.775; 9.6856; 90; 126.75; 90;

COD ID: 4324929
CIF file	Formula: - C20 H43 B22 F22 Hg N3 - Comments: Alexander Himmelspach; Manfred Zähres; Maik Finze Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water Inorganic Chemistry 50 (2011) 3186-3188 Space group: C 1 m 1 Cell volume: 2248.7 Cell parameters: 16.6852; 16.0034; 11.2335; 90; 131.437; 90;

COD ID: 4326003

Formula: - As2 Ca2 Cd -
Comments: Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As) Inorganic Chemistry 50 (2011) 8020-8027
Space group: C 1 m 1
Cell volume: 1249.81
Cell parameters: 21.5152; 4.3005; 14.3761; 90; 110.017; 90;

COD ID: 4331410
CIF file	Formula: - Ag3 P11 - Comments: Jeitschko, W.; Moeller, M.H. Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound Inorganic Chemistry 20 (1981) 833-839 Space group: C 1 m 1 Cell volume: 568.809 Cell parameters: 12.999; 7.555; 6.612; 90; 118.84; 90;

COD ID: 4331829
CIF file	Formula: - C F3 O3 Rb S - Comments: Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3 Inorganic Chemistry 45(8) (2006) 3217-3223 Space group: C 1 m 1 Cell volume: 2356.69 Cell parameters: 19.9674; 23.4892; 5.15189; 90; 102.757; 90;

COD ID: 4335679

Formula: - F12 H2 O U3 -
Comments: Jeongho Yeon; Mark D. Smith; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions Inorganic Chemistry 52 (2013) 8303-8305
Space group: C 1 m 1
Cell volume: 958.92
Cell parameters: 12.1594; 11.8457; 8.5409; 90; 128.787; 90;

COD ID: 4336779
CIF file	Formula: - Bi Co0.2 Fe0.8 O3 - Comments: Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa Crystal and Magnetic Structure in Co-Substituted BiFeO3 Inorganic Chemistry 52 (2013) 13269-13277 Space group: C 1 m 1 Cell volume: 133.809 Cell parameters: 5.33416; 5.33424; 4.70269; 90; 90.0935; 90;

COD ID: 4340875
CIF file	Formula: - C25 H24 Br4 F25 N3 O8 P4 Rh2 - Comments: Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G. Halide-Bridged Binuclear HX-Splitting Catalysts. Inorganic chemistry 53(17) (2014) 9122-9128 Space group: C 1 m 1 Cell volume: 2361.3 Cell parameters: 14.074; 21.28; 9.6086; 90; 124.859; 90;

COD ID: 4341244

Formula: - C12 H28 Cd Cl4 N2 -
Comments: Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4. Inorganic chemistry 53(20) (2014) 11146-11151
Space group: C 1 m 1
Cell volume: 5416
Cell parameters: 17.874; 27.273; 11.528; 90; 105.453; 90;

COD ID: 4342499
CIF file	Formula: - Bi1.5 Cr1.25 Se4 - Comments: Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry 54(6) (2015) 2765-2771 Space group: C 1 m 1 Cell volume: 1251.7 Cell parameters: 6.1706; 17.748; 11.474; 90; 95.04; 90;

COD ID: 4342502
CIF file	Formula: - Bi1.5 Cr3 Se6.5 - Comments: Clarke, Samantha M.; Freedman, Danna E. (BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds. Inorganic chemistry 54(6) (2015) 2765-2771 Space group: C 1 m 1 Cell volume: 1916.4 Cell parameters: 6.2044; 17.9594; 17.2313; 90; 93.537; 90;

COD ID: 4344256

Formula: - C12 H3 B O12 Ru4 -
Comments: Hong, F.E.; White, J.P.; McCarthy, D.A.; Cotrell, C.E.; Shore, S.G. Reaction of THF.BH3 with H2 Ru4 (C O)13 and H4 Ru4 (C O)12; Preparation and Structure of the Tetraruthenium 'butterfly' cluster H Ru4 (C O)12 B H2 Inorganic Chemistry 29 (1990) 2874-2876
Space group: C 1 m 1
Cell volume: 977.304
Cell parameters: 10.432; 15.709; 6.472; 90; 112.86; 90;

COD ID: 4347003

Formula: - C16 H32 Cl6 Cu3 O4 -
Comments: Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry 55(8) (2016) 3759-3766
Space group: C 1 m 1
Cell volume: 1221.9
Cell parameters: 11.376; 11.0267; 9.7439; 90; 91.499; 90;

COD ID: 4349749
CIF file	Formula: - C18 H19 Ag F6 N3 O2 Sb - Comments: Das, Debarati; Biradha, Kumar Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation Inorganic Chemistry Frontiers 4(8) (2017) 1365 Space group: C 1 m 1 Cell volume: 2447.5 Cell parameters: 20.79; 17.444; 7.132; 90; 108.868; 90;

COD ID: 4503488
CIF file	Formula: - C15 H15 Cl5 Cu5 N3 S3 - Comments: Hao, Zheng-Ming; Zhang, Xian-Ming Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials Crystal Growth & Design 8(7) (2008) 2359 Space group: C 1 m 1 Cell volume: 1170.6 Cell parameters: 10.894; 20.828; 5.325; 90; 104.344; 90;

COD ID: 4503568
CIF file	Formula: - Cs2 Hg3 I8 - Comments: Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material Crystal Growth & Design 8(8) (2008) 2946 Space group: C 1 m 1 Cell volume: 1175.99 Cell parameters: 7.4415; 21.6629; 7.6726; 90; 108.05; 90;

COD ID: 4506535

Formula: - C6 H12 I4 N2 -
Comments: Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts Crystal Growth & Design 12(8) (2012) 4157
Space group: C 1 m 1
Cell volume: 3307
Cell parameters: 13.4915; 39.8655; 6.4622; 90; 107.925; 90;

COD ID: 4508350
CIF file	Formula: - C27 H45 F24 K N6 P4 - Comments: Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids Crystal Growth & Design 13(10) (2013) 4615 Space group: C 1 m 1 Cell volume: 1962.02 Cell parameters: 13.7662; 16.8462; 8.50641; 90; 95.9664; 90;

COD ID: 5000090
CIF file	Formula: - Al2 H8 O11 Si2 - Comments: Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 90 (1935) 35-43 Space group: C 1 m 1 Cell volume: 468.2 Cell parameters: 5.2; 8.92; 10.25; 90; 100; 90;

COD ID: 5000156
CIF file	Formula: - C H6 N4 O3 - Comments: Katrusiak, A.; Szafrański, M. Structural phase transitions in guanidinium nitrate Journal of Molecular Structure 378(3) (1996) 205-223 Space group: C 1 m 1 Cell volume: 285.23 Cell parameters: 12.706; 7.26; 3.6077; 90; 121.01; 90;

COD ID: 6000753
CIF file	Formula: - B3 Ca4 La O10 - Comments: Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T. Phase relations in the system La2O3-CaO-B2O3 Journal of Alloys and Compounds 315 (2001) 198-202 Space group: C 1 m 1 Cell volume: 467.42 Cell parameters: 8.1732; 16.086; 3.6268; 90; 101.4; 90;

COD ID: 7010680

Formula: - C24 H46 Cl2 O10 Ru4 -
Comments: Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+† Journal of the Chemical Society, Dalton Transactions (issue 14) (2001) 2184
Space group: C 1 m 1
Cell volume: 1665.6
Cell parameters: 9.4441; 16.2936; 11.2913; 90; 106.534; 90;

COD ID: 7010725

Formula: - C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 -
Comments: Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D. Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units Journal of the Chemical Society, Dalton Transactions (issue 13) (2001) 2009
Space group: C 1 m 1
Cell volume: 3967.6
Cell parameters: 16.331; 25.873; 10.726; 90; 118.902; 90;

COD ID: 7019214

Formula: - C8 H12 Ba N4 O7 -
Comments: Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue. Dalton transactions (Cambridge, England : 2003) 41(27) (2012) 8354-8360
Space group: C 1 m 1
Cell volume: 641.95
Cell parameters: 9.5261; 15.77; 4.3128; 90; 97.767; 90;

COD ID: 7021582

Formula: - C24 H16 N2 -
Comments: Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies. Dalton transactions (Cambridge, England : 2003) 42(29) (2013) 10388-10393
Space group: C 1 m 1
Cell volume: 808.8
Cell parameters: 8.6722; 24.417; 3.9321; 90; 103.73; 90;

COD ID: 7029889

Formula: - C16 H24 Ag3 Mo12 N8 O42 P -
Comments: Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds. Dalton transactions (Cambridge, England : 2003) 43(22) (2014) 8405-8413
Space group: C 1 m 1
Cell volume: 2434
Cell parameters: 12.973; 19.165; 9.998; 90; 101.712; 90;

COD ID: 7030761
CIF file	Formula: - Cs2 H2 Hg3 I8 O - Comments: Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system. Dalton transactions (Cambridge, England : 2003) 43(23) (2014) 8899-8904 Space group: C 1 m 1 Cell volume: 1173.5 Cell parameters: 7.43; 21.644; 7.671; 90; 107.962; 90;

COD ID: 7031600

Formula: - C61 H106 Br3 Cl15 P6 Pt3 -
Comments: Chakraborty, Sourav; Mondal, Snehasish; Bhowmick, Sourav; Ma, Jianqiu; Tan, Hongwei; Neogi, Subhadip; Das, Neeladri Triptycene based organometallic complexes: a new class of acceptor synthons for supramolecular ensembles. Dalton transactions (Cambridge, England : 2003) 43(35) (2014) 13270-13277
Space group: C 1 m 1
Cell volume: 4836
Cell parameters: 16.482; 29.135; 10.874; 90; 112.156; 90;

COD ID: 7033828
CIF file	Formula: - C21 H12 Cu3 N3 O15 P3 - Comments: Hermer, N.; Stock, N. The new triazine-based porous copper phosphonate [Cu3(PPT)(H2O)3]·10H2O. Dalton transactions (Cambridge, England : 2003) 44(8) (2015) 3720-3723 Space group: C 1 m 1 Cell volume: 1905.6 Cell parameters: 25.618; 17.04; 4.4322; 90; 99.96; 90;

COD ID: 7040248

Formula: - C32 H23 Cl2 N2 Ni P S4 Sn -
Comments: Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand. Dalton transactions (Cambridge, England : 2003) 45(36) (2016) 14252-14264
Space group: C 1 m 1
Cell volume: 1625.89
Cell parameters: 7.8975; 17.3839; 12.3904; 90; 107.098; 90;

COD ID: 7044059
CIF file	Formula: - B3 Cd5 Cl O9 - Comments: Song, YunXia; Luo, Min; Liang, Fei; Lin, Chensheng; Ye, Ning; Yan, Guiyang; Lin, Zheshuai Experimental and ab Initio Studies of Cd5(BO3)3Cl: the First Cadmium Borate Chlorine with isolated BO3 groups Dalton Trans. (2017) Space group: C 1 m 1 Cell volume: 450 Cell parameters: 8.172; 16.061; 3.4741; 90; 99.294; 90;

COD ID: 7046067

Formula: - C12 H30 Cl F3 N3 Sc Sn -
Comments: Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride. Dalton transactions (Cambridge, England : 2003) 47(17) (2018) 6059-6068
Space group: C 1 m 1
Cell volume: 1046.67
Cell parameters: 11.8495; 9.2438; 10.9099; 90; 118.852; 90;

COD ID: 7048124
CIF file	Formula: - C37 H44 Ag2 B0 F3 N18 O6 S - Comments: Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F. Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand. Dalton transactions (Cambridge, England : 2003) 47(47) (2018) 17109-17121 Space group: C 1 m 1 Cell volume: 2415.1 Cell parameters: 12.2382; 27.6761; 7.7791; 90; 113.565; 90;

COD ID: 7049962

Formula: - C21 H19 Co3 N O14 -
Comments: Ding, Tao; Zhang, Sheng; Zhang, Weiqiang; Zhang, Guofang; Gao, Zi-Wei Highly selective C2H2 and CO2 capture and magnetic properties of a robust Co-chain based metal-organic framework. Dalton transactions (Cambridge, England : 2003) 48(22) (2019) 7938-7945
Space group: C 1 m 1
Cell volume: 1727
Cell parameters: 18.3; 14.35; 6.661; 90; 99.09; 90;

COD ID: 7051453

Formula: - C10 H19 Cl F6 N P Ru S4 -
Comments: Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B. Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands New Journal of Chemistry 23(10) (1999) 1015-1025
Space group: C 1 m 1
Cell volume: 989
Cell parameters: 12.264; 9.189; 8.822; 90; 96.02; 90;

COD ID: 7053002

Formula: - C30 H36 Ba O14 Zn2 -
Comments: Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands New Journal of Chemistry 37(2) (2013) 380
Space group: C 1 m 1
Cell volume: 3732.9
Cell parameters: 18.14; 31.2496; 6.8627; 90; 106.35; 90;

COD ID: 7053369
CIF file	Formula: - C36 H39.4 Cu N10 O15.7 - Comments: Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization New Journal of Chemistry 34(11) (2010) 2458 Space group: C 1 m 1 Cell volume: 1974.7 Cell parameters: 13.3131; 21.518; 8.2174; 90; 122.982; 90;

COD ID: 7054438
CIF file	Formula: - B3 Cd4 O10 Yb - Comments: Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties New J. Chem. 38(12) (2014) 6186 Space group: C 1 m 1 Cell volume: 424.9 Cell parameters: 7.938; 15.794; 3.4414; 90; 99.992; 90;

COD ID: 7055225
CIF file	Formula: - B3 Cd4 Nd O10 - Comments: Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem. 40(3) (2016) 2057 Space group: C 1 m 1 Cell volume: 444.81 Cell parameters: 8.0536; 15.872; 3.5364; 90; 100.268; 90;

COD ID: 7062675

Formula: - C53 H40 N2 O2 P2 Ru -
Comments: Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K. Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity New Journal of Chemistry 47(37) (2023) 17359-17372
Space group: C 1 m 1
Cell volume: 2364
Cell parameters: 18.2738; 15.3551; 9.8021; 90; 120.739; 90;

COD ID: 7105794
CIF file	Formula: - C76 H88 Mn N4 Na O3 - Comments: Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides Chem.Commun. 47 (2011) 406 Space group: C 1 m 1 Cell volume: 3521.9 Cell parameters: 16.0055; 24.312; 11.5994; 90; 128.714; 90;

COD ID: 7108168
CIF file	Formula: - C29 H52 Cl6 P2 Pt - Comments: Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation Chem.Commun. 48(67) (2012) 8350-8352 Space group: C 1 m 1 Cell volume: 1771.9 Cell parameters: 8.959; 17.604; 11.96; 90; 110.056; 90;

COD ID: 7111164

Formula: - C27 H63 N6 O P Si Sn8 -
Comments: Mosquera, Marta E. G.; Hopkins, Alexander D.; Raithby, Paul R.; Rothenberger, Alexander; Woods, Anthony D.; Wright, Dominic S.; Steiner, Alexander Synthesis and structure of [{Sn4(NBut)3P}{Sn4(NBut)3(OSiMe3)}]; a low-oxidation state p-block metal complex containing a P3− anion Chemical Communications (issue 4) (2001) 327
Space group: C 1 m 1
Cell volume: 2353.1
Cell parameters: 13.453; 15.28; 12.736; 90; 116; 90;

COD ID: 7111674

Formula: - C106 H83 F12 N19 O13 Pd2 S4 -
Comments: Liao, Puhong; Langloss, Brian W.; Johnson, Amber M.; Knudsen, Eric R.; Tham, Fook S.; Julian, Ryan R.; Hooley, Richard J. Two-component control of guest binding in a self-assembled cage molecule Chemical Communications 46(27) (2010) 4932-4934
Space group: C 1 m 1
Cell volume: 5619.7
Cell parameters: 27.6097; 15.0085; 14.2322; 90; 107.657; 90;

COD ID: 7114349

Formula: - C38 H58 F3 N5 O3 -
Comments: Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Suwinska, Kinga; Eichen, Yoav The role of template in the synthesis of meso-hexamethyl- meso-hexaphenyl-calix[6]pyrrole: trihalogenated compounds as templates for the assembly of a host with a trigonal cavityElectronic supplementary data (ESI) available: Figs. 1 and 2 showing atom numbering. See http://www.rsc.org/suppdata/cc/b1/b106162n/ Chemical Communications (issue 5) (2002) 404
Space group: C 1 m 1
Cell volume: 1935.26
Cell parameters: 12.6; 16.723; 10.635; 90; 120.276; 90;

COD ID: 7116528

Formula: - C16 H111 Cu4 Dy2 K2 N16 O101.5 Si2 W22 -
Comments: Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions Chem.Commun. 51 (2015) 3336
Space group: C 1 m 1
Cell volume: 6209.3
Cell parameters: 20.5847; 13.4613; 22.9069; 90; 101.973; 90;

COD ID: 7117772

Formula: - C16 H21 Br Co N O4 -
Comments: Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers Chem.Commun. 51 (2015) 14334
Space group: C 1 m 1
Cell volume: 897.1
Cell parameters: 8.2934; 13.814; 7.8377; 90; 92.388; 90;

COD ID: 7117773

Formula: - C16 H21 Cl Co N O4 -
Comments: Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers Chem.Commun. 51 (2015) 14334
Space group: C 1 m 1
Cell volume: 873.97
Cell parameters: 8.1891; 13.7998; 7.73787; 90; 91.89; 90;

COD ID: 7121125
CIF file	Formula: - C K3 O8 V - Comments: Song, Yunxia; Luo, Min; Liang, Fei; Ye, Ning; Lin, Zheshuai The second-harmonic generation intensification derived from localization conjugated π-orbitals in O<sub>2</sub><sup>2</sup>. Chemical communications (Cambridge, England) 54(12) (2018) 1445-1448 Space group: C 1 m 1 Cell volume: 394 Cell parameters: 9; 9.297; 5.601; 90; 122.89; 90;

COD ID: 7121334
CIF file	Formula: - C7 H4 Br N - Comments: Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J. Hand-twistable plastically deformable crystals of a rigid small organic molecule. Chemical communications (Cambridge, England) 54(24) (2018) 2994-2997 Space group: C 1 m 1 Cell volume: 337.34 Cell parameters: 9.531; 8.5593; 4.1352; 90; 90.295; 90;

COD ID: 7121335
CIF file	Formula: - C7 H4 Br N - Comments: Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J. Hand-twistable plastically deformable crystals of a rigid small organic molecule. Chemical communications (Cambridge, England) 54(24) (2018) 2994-2997 Space group: C 1 m 1 Cell volume: 334.9 Cell parameters: 9.509; 8.535; 4.127; 90; 90.311; 90;

COD ID: 7126891

Formula: - C97 H150 Co4 F8 N14 O6 P4 S2 -
Comments: Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation. Chemical communications (Cambridge, England) 56(67) (2020) 9675-9678
Space group: C 1 m 1
Cell volume: 5436.8
Cell parameters: 22.62; 21.11; 12.65; 90; 115.833; 90;

COD ID: 7127638

Formula: - Ag3 Ga8 K Se14 -
Comments: Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping A novel promising infrared nonlinear optical selenide KAg3Ga8Se14 designed from benchmark AgGaQ2 (Q = S, Se). Chemical communications (Cambridge, England) 57(9) (2021) 1109-1112
Space group: C 1 m 1
Cell volume: 1306.87
Cell parameters: 12.8805; 11.6857; 9.66; 90; 115.998; 90;

COD ID: 7157816

Formula: - C7 H4 Br N -
Comments: Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru meta-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. Organic & biomolecular chemistry 19(2) (2021) 446-456
Space group: C 1 m 1
Cell volume: 325.749
Cell parameters: 9.4437; 8.5227; 4.0482; 90; 91.2214; 90;

COD ID: 7159755

Formula: - C5 H5 O2 -
Comments: Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents. Organic & biomolecular chemistry 22(5) (2024) 1038-1046
Space group: C 1 m 1
Cell volume: 435.14
Cell parameters: 6.3968; 15.9612; 4.3338; 90; 100.453; 90;

COD ID: 7204401
CIF file	Formula: - C18 H24 Cl6 N O Sb - Comments: Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K. Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure Journal of the Chemical Society, Perkin Transactions 2 (issue 8) (2002) 1468 Space group: C 1 m 1 Cell volume: 1221.3 Cell parameters: 12.502; 10.516; 9.852; 90; 109.46; 90;

COD ID: 7205234

Formula: - C30 H26 Co2 N2 O12 -
Comments: Karmakar, Anirban; Goldberg, Israel Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals CrystEngComm 13(1) (2011) 350
Space group: C 1 m 1
Cell volume: 3787.89
Cell parameters: 13.5405; 21.5306; 13.5016; 90; 105.778; 90;

COD ID: 7208618
CIF file	Formula: - B3 Cd4 Gd O10 - Comments: Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry 22(37) (2012) 19911 Space group: C 1 m 1 Cell volume: 433.6 Cell parameters: 7.992; 15.777; 3.494; 90; 100.22; 90;

COD ID: 7208619
CIF file	Formula: - B3 Cd4 Lu O10 - Comments: Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry 22(37) (2012) 19911 Space group: C 1 m 1 Cell volume: 423.8 Cell parameters: 7.937; 15.778; 3.436; 90; 99.972; 90;

COD ID: 7208620
CIF file	Formula: - B3 Cd4 O10 Y - Comments: Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses Journal of Materials Chemistry 22(37) (2012) 19911 Space group: C 1 m 1 Cell volume: 429.7 Cell parameters: 7.9627; 15.793; 3.4706; 90; 100.088; 90;

COD ID: 7209446
CIF file	Formula: - B3 Ca4 Gd O10 - Comments: Kahn-Harari, A.; Aka, G.; Mougel, F.; Pelenc, D. Structural and thermal stability of Czochralski grown Gd C O B oxoborate single crystals Journal of Materials Chemistry 8 (1998) 1619-1623 Space group: C 1 m 1 Cell volume: 449.705 Cell parameters: 8.078; 15.981; 3.5519; 90; 101.26; 90;

COD ID: 7209474
CIF file	Formula: - B O7 P Zn3 - Comments: Park, C.-H.; Bluhm, K. Die Synthese und Kristallstruktur des Borat-Phosphats: alpha - Zn3 (B O3) (P O4) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 102-106 Space group: C 1 m 1 Cell volume: 523.196 Cell parameters: 9.725; 12.72; 4.874; 90; 119.8; 90;

COD ID: 7209604
CIF file	Formula: - B3 Cd5 F O9 - Comments: Zou, Guohong; Zhang, Liyuan; Ye, Ning Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F CrystEngComm 15(13) (2013) 2422 Space group: C 1 m 1 Cell volume: 436.6 Cell parameters: 8.057; 15.966; 3.447; 90; 100.06; 90;

COD ID: 7209847
CIF file	Formula: - B3 Ca4 O10 Pr - Comments: Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3 CrystEngComm 15(26) (2013) 5226 Space group: C 1 m 1 Cell volume: 469.95 Cell parameters: 8.1772; 16.157; 3.6286; 90; 101.399; 90;

COD ID: 7210632
CIF file	Formula: - C22 H39 La O21 P4 - Comments: Białek, Michał J.; Janczak, Jan; Zoń, Jerzy Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids CrystEngComm 15(2) (2013) 390 Space group: C 1 m 1 Cell volume: 1667.13 Cell parameters: 9.2113; 26.5836; 6.8556; 90; 96.74; 90;

COD ID: 7214380

Formula: - B3 Ca4.01 O10 Tb0.99 -
Comments: Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal CrystEngComm 16(19) (2014) 4008
Space group: C 1 m 1
Cell volume: 449.06
Cell parameters: 8.0715; 16; 3.5454; 90; 101.255; 90;

COD ID: 7214789

Formula: - C27 H41 Cl2 Cu N3 O6 -
Comments: Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests CrystEngComm 14(21) (2012) 7493
Space group: C 1 m 1
Cell volume: 1581.3
Cell parameters: 11.1998; 17.0668; 8.4726; 90; 102.461; 90;

COD ID: 7216216
CIF file	Formula: - B3 Ca4 O10 Tm - Comments: Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals CrystEngComm 16(30) (2014) 7141 Space group: C 1 m 1 Cell volume: 446.56 Cell parameters: 8.0679; 16.014; 3.5224; 90; 101.112; 90;

COD ID: 7216660
CIF file	Formula: - C22 H14 F4 I2 N6 - Comments: Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions CrystEngComm 16(31) (2014) 7218 Space group: C 1 m 1 Cell volume: 1166.8 Cell parameters: 10.0009; 28.964; 4.1036; 90; 100.997; 90;

COD ID: 7219085
CIF file	Formula: - C23 H34 Mg2 N3 O14 S2 - Comments: Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying Solvent-assisted construction of diverse Mg-TDC coordination polymers CrystEngComm 17(6) (2015) 1348 Space group: C 1 m 1 Cell volume: 1591.3 Cell parameters: 12.9363; 15.858; 9.0474; 90; 120.978; 90;

COD ID: 7221233

Formula: - H10 Mo3 N2 O S13 -
Comments: Mueller, A.; Pohl, S.; Kirchner, R.M.; Cohen, J.P.; Dartmann, M.; Bennett, M.J. Crystal structure of (N H4)2 M O S (S2)6 containing the novel isolated cluster (Mo3 S13)2- Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 434-436
Space group: C 1 m 1
Cell volume: 967.2
Cell parameters: 11.577; 16.448; 5.716; 90; 117.3; 90;

COD ID: 7224505

Formula: - C24 H32 Co N2 O8 -
Comments: Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms CrystEngComm 18(14) (2016) 2425
Space group: C 1 m 1
Cell volume: 1179.8
Cell parameters: 9.7472; 22.777; 7.0903; 90; 131.453; 90;

COD ID: 7225837

Formula: - B6 Ca8 La0.18 O20 Y1.81 -
Comments: Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm 18(33) (2016) 6205
Space group: C 1 m 1
Cell volume: 449.75
Cell parameters: 8.0806; 16.0141; 3.5431; 90; 101.206; 90;

COD ID: 7225838

Formula: - B3 Ca4.03 La0.11 O10 Y0.86 -
Comments: Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm 18(33) (2016) 6205
Space group: C 1 m 1
Cell volume: 456.97
Cell parameters: 8.1214; 16.1024; 3.5623; 90; 101.211; 90;

COD ID: 7226403
CIF file	Formula: - C12 H28 Cd Cl4 N2 - Comments: Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin A perovskite-type cage compound as a temperature-triggered dielectric switchable material CrystEngComm 18(40) (2016) 7671 Space group: C 1 m 1 Cell volume: 5416 Cell parameters: 17.874; 27.273; 11.528; 90; 105.453; 90;

COD ID: 7228504
CIF file	Formula: - H15 O10.5 S - Comments: Mootz, Dietrich; Merschenz-Quack, Angelika On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O Zeitschrift fur Naturforschung B 42 (1987) 1231-1236 Space group: C 1 m 1 Cell volume: 928.3 Cell parameters: 6.287; 26.876; 5.936; 90; 112.26; 90;

COD ID: 7230189

Formula: - C41 H35 Cl7 N2 O6 -
Comments: Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea Poly-histidine grafting leading to fishbone-like architectures RSC Advances 8(16) (2018) 8638
Space group: C 1 m 1
Cell volume: 2122.2
Cell parameters: 10.245; 25.069; 8.5267; 90; 104.29; 90;

COD ID: 7231447

Formula: - C19 H19 N4 O Si -
Comments: Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals. Physical chemistry chemical physics : PCCP 20(35) (2018) 22902-22908
Space group: C 1 m 1
Cell volume: 931.9
Cell parameters: 9.6565; 17.991; 5.8635; 90; 113.819; 90;

COD ID: 7231449

Formula: - C18 H11 N4 O -
Comments: Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals. Physical chemistry chemical physics : PCCP 20(35) (2018) 22902-22908
Space group: C 1 m 1
Cell volume: 713.42
Cell parameters: 11.27; 16.9544; 3.7589; 90; 96.64; 90;

COD ID: 7231684
CIF file	Formula: - C17 H30 Ag5 I6 N5 O - Comments: Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing New photoluminescent iodoargentates with bisimidazole derivatives as countercations RSC Advances 8(63) (2018) 36150 Space group: C 1 m 1 Cell volume: 3423.5 Cell parameters: 21.078; 21.543; 7.9092; 90; 107.59; 90;

COD ID: 7231691

Formula: - C12 H13 I2 N3 S2 -
Comments: Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand RSC Advances 8(63) (2018) 36223
Space group: C 1 m 1
Cell volume: 2522.6
Cell parameters: 16.8767; 33.8581; 4.4165; 90; 91.65; 90;

COD ID: 7240511
CIF file	Formula: - O5 Pb1.5 Sb5 Se8 Sr4 - Comments: Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response CrystEngComm (2020) Space group: C 1 m 1 Cell volume: 1218.46 Cell parameters: 18.8403; 4.2335; 15.3364; 90; 95.068; 90;

COD ID: 7242571

Formula: - C32 H46 Cu2 Ge N12 O48 W12 -
Comments: Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes Green Chemistry 23(8) (2021) 3104-3114
Space group: C 1 m 1
Cell volume: 3076.9
Cell parameters: 12.5419; 22.4521; 11.6246; 90; 109.951; 90;

COD ID: 7243483
CIF file	Formula: - B3 Ca4 Ho O10 - Comments: Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm 23(37) (2021) 6574-6581 Space group: C 1 m 1 Cell volume: 448.8 Cell parameters: 8.09; 16.018; 3.5317; 90; 101.284; 90;

COD ID: 7244568
CIF file	Formula: - B3 Cd4 O10 Sm - Comments: Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm (2022) Space group: C 1 m 1 Cell volume: 433.98 Cell parameters: 7.9798; 15.7654; 3.5051; 90; 100.208; 90;

COD ID: 7244569
CIF file	Formula: - B3 Cd4 O10 Tb - Comments: Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm (2022) Space group: C 1 m 1 Cell volume: 429.81 Cell parameters: 7.9549; 15.7709; 3.4813; 90; 100.227; 90;

COD ID: 7244570
CIF file	Formula: - B3 Cd4 Eu O10 - Comments: Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm (2022) Space group: C 1 m 1 Cell volume: 431.76 Cell parameters: 7.9673; 15.7619; 3.4932; 90; 100.186; 90;

COD ID: 7245605

Formula: - C4 H4 O5 -
Comments: Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids Physical Chemistry Chemical Physics (2022)
Space group: C 1 m 1
Cell volume: 253.02
Cell parameters: 8.69237; 6.06857; 5.58397; 90; 120.797; 90;

COD ID: 7247460

Formula: - C21 H23 Mn2 N9 O11 -
Comments: Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm 25(47) (2023) 6539-6548
Space group: C 1 m 1
Cell volume: 1379
Cell parameters: 12.318; 12.9645; 9.0482; 90; 107.377; 90;

COD ID: 7700286

Formula: - Cd Cl2 Cs2 O6 V2 -
Comments: Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv Cs2CdV2O6Cl2 and Cs3CdV4O12Br: two new non-centrosymmetric oxyhalides containing d0 and d10 cations and exhibiting second harmonic generation activity. Dalton transactions (Cambridge, England : 2003) 48(28) (2019) 10642-10651
Space group: C 1 m 1
Cell volume: 547.55
Cell parameters: 5.5761; 18.331; 5.357; 90; 90.404; 90;

COD ID: 7705796

Formula: - C6 H16 F7 N9 O5 Ti Zn3 -
Comments: Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn3TiF7(H2O)2(taz)3·S (S = 3H2O or C2H5OH). Dalton transactions (Cambridge, England : 2003) 49(48) (2020) 17758-17771
Space group: C 1 m 1
Cell volume: 969.89
Cell parameters: 11.2025; 10.8541; 8.8565; 90; 115.758; 90;

COD ID: 7705797

Formula: - C6 F7 N9 O2 Ti Zn3 -
Comments: Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn3TiF7(H2O)2(taz)3·S (S = 3H2O or C2H5OH). Dalton transactions (Cambridge, England : 2003) 49(48) (2020) 17758-17771
Space group: C 1 m 1
Cell volume: 964.8
Cell parameters: 11.2482; 10.725; 8.801; 90; 114.673; 90;

COD ID: 7705798

Formula: - C6 H6 F7 N9 Ti Zn3 -
Comments: Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M. Topotactic desolvation and condensation reactions of 3D Zn3TiF7(H2O)2(taz)3·S (S = 3H2O or C2H5OH). Dalton transactions (Cambridge, England : 2003) 49(48) (2020) 17758-17771
Space group: C 1 m 1
Cell volume: 857.13
Cell parameters: 11.199; 10.6391; 7.3676; 90; 102.466; 90;

COD ID: 7706537

Formula: - C40 H108 Ge6 Se10 Si12 -
Comments: Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas LiEC(SiMe3)3 (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R x Ge y )E z ] cage compounds with unique structural features. Dalton transactions (Cambridge, England : 2003) 50(7) (2021) 2663-2670
Space group: C 1 m 1
Cell volume: 5035.6
Cell parameters: 17.9129; 20.5298; 13.922; 90; 100.402; 90;

COD ID: 7710805

Formula: - Ag3 Ga8 Rb Se14 -
Comments: Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong AAg3Ga8Se14 (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe4 and GaSe4 tetrahedrons. Dalton transactions (Cambridge, England : 2003) 51(29) (2022) 11048-11053
Space group: C 1 m 1
Cell volume: 1313.34
Cell parameters: 12.9155; 11.7376; 9.6693; 90; 116.367; 90;

COD ID: 7710806

Formula: - Ag3 Cs Ga8 Se14 -
Comments: Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong AAg3Ga8Se14 (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe4 and GaSe4 tetrahedrons. Dalton transactions (Cambridge, England : 2003) 51(29) (2022) 11048-11053
Space group: C 1 m 1
Cell volume: 1324.34
Cell parameters: 12.9694; 11.7931; 9.7011; 90; 116.805; 90;

COD ID: 7715159

Formula: - C106 H128 Al2 B N5 O5 -
Comments: Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L. Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide. Dalton transactions (Cambridge, England : 2003) 53(10) (2024) 4643-4651
Space group: C 1 m 1
Cell volume: 4605.7
Cell parameters: 14.8161; 21.5593; 14.4379; 90; 92.943; 90;

COD ID: 8103863
CIF file	Formula: - H4 O28 P4 Tl2 U5 - Comments: Locock, A.J.; Burns, P.C. Revised Tl(I)-O bond valence parameters and the structures of thallous dichromae and thallous uranyl phosphate hydrate Zeitschrift fuer Kristallographie (149,1979-) 219 (2004) 259-266 Space group: C 1 m 1 Cell volume: 1359.24 Cell parameters: 12.9798; 15.1639; 9.3384; 90; 132.31; 90;

COD ID: 8104504
CIF file	Formula: - H4 Mg3 O9 Si2 - Comments: Krstanovic, I. Crystal structure of single-layer lizardite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 126 (1968) 163-169 Space group: C 1 m 1 Cell volume: 354.548 Cell parameters: 5.301; 9.186; 7.281; 90; 90; 90;

COD ID: 8105040
CIF file	Formula: - C28 H26 Br4 O S Sn - Comments: Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T. Crystal structure of (dibenzyl sulphoxide-κO)dibromido-bis(4-bromobenzyl-κC)tin(IV), C28H26Br4OSSn Zeitschrift für Kristallographie - New Crystal Structures 235(1) (2019) 139-141 Space group: C 1 m 1 Cell volume: 1442.34 Cell parameters: 8.4055; 26.9988; 6.4207; 90; 98.164; 90;

COD ID: 8107565
CIF file	Formula: - C11 H10 N2 O3 S - Comments: Wang, Qinglong; Hou, Xuehui Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S Zeitschrift für Kristallographie - New Crystal Structures 238(4) (2023) 797-798 Space group: C 1 m 1 Cell volume: 545.45 Cell parameters: 10.8483; 9.3377; 5.4086; 90; 95.398; 90;

COD ID: 9000021
CIF file	Formula: - Al F H K Mg3 O11 Si3 - Comments: Hendricks, S. B.; Jefferson, M. E. Polymorphism of the micas with optical measurements Note: Biotite group American Mineralogist 24 (1939) 729-771 Space group: C 1 m 1 Cell volume: 490.203 Cell parameters: 5.32; 9.21; 10.16; 90; 100.03; 90;

COD ID: 9000150
CIF file	Formula: - Al1.602 Ca H11.333 O16.002 Si4.398 - Comments: Merkle, A. B.; Slaughter, M. The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O American Mineralogist 52 (1967) 273-276 Space group: C 1 m 1 Cell volume: 2103.96 Cell parameters: 17.73; 17.82; 7.43; 90; 116.33; 90;

COD ID: 9000175
CIF file	Formula: - Al4.8 Ca1.2 H28 O45.55 Si13.2 - Comments: Merkle, A. B.; Slaughter, M. Determination and refinement of the structure of heulandite American Mineralogist 53 (1968) 1120-1138 Space group: C 1 m 1 Cell volume: 2103.96 Cell parameters: 17.73; 17.82; 7.43; 90; 116.33; 90;

COD ID: 9001618

Formula: - Al4.446 O44.08 Pb2 Si13.554 -
Comments: Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R. Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Pb-exchanged Atomic parameters from ICSD American Mineralogist 79 (1994) 675-682
Space group: C 1 m 1
Cell volume: 2120.39
Cell parameters: 17.767; 17.917; 7.432; 90; 116.33; 90;

COD ID: 9001717
CIF file	Formula: - Mg3 O9 Si2 - Comments: Banfield, J. F.; Bailey, S. W. Formation of regularly interstatified serpentine-chlorite minerals by tetrahedral inversion in long-period serpentine polytypes American Mineralogist 81 (1996) 79-91 Space group: C 1 m 1 Cell volume: 1048.66 Cell parameters: 5.323; 9.214; 21.381; 90; 90; 90;

COD ID: 9002902
CIF file	Formula: - Al4.5 H34 O48.88 Si13.5 Sr2.116 - Comments: Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: fully hydrated at room temperature American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2117.81 Cell parameters: 17.714; 18; 7.43; 90; 116.627; 90;

COD ID: 9002903
CIF file	Formula: - Al4.5 H34 O48.49 Si13.5 Sr2.094 - Comments: Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 100 deg C, measured at -170 deg C American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2110.76 Cell parameters: 17.698; 17.97; 7.426; 90; 116.653; 90;

COD ID: 9002904
CIF file	Formula: - Al4.5 H34 O45.29 Si13.5 Sr2.079 - Comments: Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 150 deg C, measured at -170 deg C American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2083.33 Cell parameters: 17.643; 17.842; 7.418; 90; 116.851; 90;

COD ID: 9002905
CIF file	Formula: - Al4.5 H38 O44.58 Si13.5 Sr2.678 - Comments: Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 200 deg C, measured at -170 deg C American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2073.42 Cell parameters: 17.642; 17.775; 7.414; 90; 116.897; 90;

COD ID: 9002906
CIF file	Formula: - Al4.5 H21.04 O44.3 Si13.5 Sr1.73 - Comments: Dobelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 250 deg C, measured at -170 deg C American Mineralogist 88 (2003) 527-533 Space group: C 1 m 1 Cell volume: 2047.78 Cell parameters: 17.6; 17.59; 7.408; 90; 116.76; 90;

COD ID: 9003563

Formula: - Ba H10 K2 Na2 O32 Si8 Ti4 -
Comments: Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N. Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure American Mineralogist 89 (2004) 1655-1666
Space group: C 1 m 1
Cell volume: 1359.76
Cell parameters: 14.2446; 13.7884; 7.75; 90; 116.709; 90;

COD ID: 9005202

Formula: - H13.2 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -
Comments: Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovsky, D. Y.; Nadezhina, T. N. Crystal structure and microtwinning of K-rich nenadkevichite Note: Wat4 y-coordinate changed to reproduce reported bond lengths European Journal of Mineralogy 6 (1994) 503-509
Space group: C 1 m 1
Cell volume: 1445.74
Cell parameters: 14.692; 14.164; 7.859; 90; 117.87; 90;

COD ID: 9005610

Formula: - C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 -
Comments: Wildner, M.; Tillmanns, E.; Andrut, M.; Lorenz, J. Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship to mitridatite-group minerals and pararobertsite Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany European Journal of Mineralogy 15 (2003) 555-564
Space group: C 1 m 1
Cell volume: 1942.57
Cell parameters: 11.253; 19.628; 8.932; 90; 100.05; 90;

COD ID: 9008366
CIF file	Formula: - Ca27 O45 Si9 - Comments: Nishi, F.; Takeuchi, Y.; Maki, I. Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure Zeitschrift fur Kristallographie 172(3-4) (1985) 297-314 Space group: C 1 m 1 Cell volume: 4289.43 Cell parameters: 33.083; 7.027; 18.499; 90; 94.12; 90;

COD ID: 9009296
CIF file	Formula: - Al3 Ba H6 O14 P2 - Comments: Radoslovich E W Refinement of gorceixite structure in Cm Neues Jahrbuch fur Mineralogie, Monatshefte 1982 (1982) 446-464 Space group: C 1 m 1 Cell volume: 494.992 Cell parameters: 12.225; 7.04; 7.055; 90; 125.39; 90;

COD ID: 9009561
CIF file	Formula: - Ba0.14 Ca0.2 H19.34 K0.42 Na0.2 Nb1.2 O32.02 Si8 Sr0.64 Ti2.8 - Comments: Rosenberg K A; Rastsvetaeva R K; Pekov I V; Chukanov N V; Verin I A Crystal structure of Sr-rich tsepinite Doklady Akademii Nauk SSSR 393 (2003) 784-787 Space group: C 1 m 1 Cell volume: 1444.27 Cell parameters: 14.49; 14.23; 7.881; 90; 117.28; 90;

COD ID: 9009985
CIF file	Formula: - Fe2 H O9 Sb Si2 - Comments: Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N. Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral Powder Diffraction 13 (1998) 44-49 Space group: C 1 m 1 Cell volume: 358.121 Cell parameters: 5.225; 8.997; 7.78; 90; 101.71; 90;

COD ID: 9009996
CIF file	Formula: - As0.8 H2 Na2 O2 S13 Sb7.2 - Comments: Nakai, I.; Appleman, D. E. The crystal structure of gerstleyite Na2(Sb,As)8S132H2O: the first sulfosalt mineral of sodium Chemistry Letters 1981 (1981) 1327-1330 Space group: C 1 m 1 Cell volume: 1280.21 Cell parameters*: 9.911; 23.05; 7.097; 90; 127.85; 90;

COD ID: 9011223
CIF file	Formula: - As3 Fe3 H24 O26 Zn2 - Comments: Ginderow, D.; Cesbron, F. Structure de la mapimite, Zn2Fe3(AsO4)3(OH)410H2O Note: anisoB's from ICSD Acta Crystallographica, Section B 37 (1981) 1040-1043 Space group: C 1 m 1 Cell volume: 1060.19 Cell parameters*: 11.415; 11.259; 8.661; 90; 107.74; 90;

COD ID: 9011742
CIF file	Formula: - Al3 Ba H7 O14 P2 - Comments: Radoslovich, E. W. Refinement of gorceixite structure in Cm Locality: New South Wales Neues Jahrbuch fur Mineralogie, Monatshefte 1982 (1982) 446-464 Space group: C 1 m 1 Cell volume: 494.992 Cell parameters: 12.225; 7.04; 7.055; 90; 125.39; 90;

COD ID: 9011871
CIF file	Formula: - Bi Fe2 H O9 Si2 - Comments: Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Soviet Physics Crystallography 22 (1977) 419-423 Space group: C 1 m 1 Cell volume: 357.45 Cell parameters: 5.21; 9.02; 7.74; 90; 100.667; 90;

COD ID: 9011872
CIF file	Formula: - Fe2 H O9 Sb Si2 - Comments: Zhukhlistov, A. P.; Zvyagin, B. B. Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Note: z(O3) corrected Soviet Physics Crystallography 22 (1977) 419-423 Space group: C 1 m 1 Cell volume: 353.056 Cell parameters: 5.19; 8.99; 7.7; 90; 100.67; 90;

COD ID: 9011916
CIF file	Formula: - Ba Fe2 H2 O10 Si2 Ti - Comments: Guan, Y. S.; Simonov, V. I.; Belov, N. V. The crystal structure of bafertisite BaFe2TiO[Si2O7](OH)2 Doklady Akademii Nauk SSSR 149 (1963) 1416-1419 Space group: C 1 m 1 Cell volume: 1569.22 Cell parameters: 10.6; 13.64; 12.47; 90; 119.5; 90;

COD ID: 9012390
CIF file	Formula: - Bi Pb Pd2 - Comments: Mayer, H. W.; Bhatt, Y. C.; Schubert, K. Kristallstrukturen von Pd2PbBi und Pd4PbBi3 Journal of the Less-Common Metals 66 (1979) 1-9 Space group: C 1 m 1 Cell volume: 329.424 Cell parameters: 7.171; 8.677; 5.575; 90; 71.74; 90;

COD ID: 9012641
CIF file	Formula: - Ba0.03 Fe0.4 H13.17 K1.63 Mn0.56 Na0.18 Nb0.34 O32.25 Si8 Ti3.4 - Comments: Rastsvetaeva, R. K.; Chukanov, N. V.; Pekov, I. V. Refined crystal structure of kuzmenkoite Crystallography Reports 45 (2000) 759-761 Space group: C 1 m 1 Cell volume: 1389.71 Cell parameters: 14.369; 13.906; 7.812; 90; 117.09; 90;

COD ID: 9012643

Formula: - Al0.18 Ca0.01 Fe0.01 H10 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 -
Comments: Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Ekimenkova, I. A. Crystal structure of litvinskite: A new natural member of the lovozerite group Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia Crystallography Reports 46 (2001) 190-193
Space group: C 1 m 1
Cell volume: 794.695
Cell parameters: 10.589; 10.217; 7.355; 90; 92.91; 90;

COD ID: 9012748