Search results

Formula: - As2 Sn2 Sr -
Comments: Eisenmann, B; Klein, J Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb Zeitschrift fuer Anorganische und Allgemeine Chemie 598 (1991) 93-102
Space group: R 3 m :H
Cell volume: 409.1
Cell parameters: 4.204; 4.204; 26.728; 90; 90; 120;

COD ID: 1008469

Formula: - As2 Ba0.13 Sn2 Sr0.87 -
Comments: Eisenmann, B; Klein, J Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb Zeitschrift fuer Anorganische und Allgemeine Chemie 598 (1991) 93-102
Space group: R 3 m :H
Cell volume: 415.9
Cell parameters: 4.227; 4.227; 26.878; 90; 90; 120;

COD ID: 1008844
CIF file	Formula: - Sb2 Se2 Te - Comments: Andriamihaja, A; Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Evolution structurale de la solution solide Sb2 Te(3-x) Se(x) (O < X < 2) dans le systeme Sb2 Te3 - Sb2 Se3 Revue de Chimie Minerale 22 (1985) 357-368 Space group: R 3 m :H Cell volume: 431.9 Cell parameters: 4.112; 4.112; 29.495; 90; 90; 120;

COD ID: 1100051
CIF file	Formula: - Al65 Cr27 Fe8 - Comments: Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B 33(4) (1977) 1088-1095 Space group: R 3 m :H Cell volume: 1105.78 Cell parameters: 12.6963024; 12.6963024; 7.9210911; 90; 90; 120;

COD ID: 1100602
CIF file	Formula: - C45 H84 Cd4 I4 N4 P4 - Comments: Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias Heterocubane Phosphoraniminato Complexes of Cadmium Inorganic Chemistry 37(5) (1998) 1099-1104 Space group: R 3 m :H Cell volume: 4766.6 Cell parameters: 17.842; 17.842; 17.29; 90; 90; 120;

COD ID: 1501513
CIF file	Formula: - Mg0.247 Nb0.493 O3 Pb Ti0.26 - 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: R 3 m :H Cell volume: 195.303 Cell parameters: 5.6841; 5.6841; 6.98; 90; 90; 120;

COD ID: 1501514
CIF file	Formula: - Mg0.267 Nb0.533 O3 Pb Ti0.2 - 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: R 3 m :H Cell volume: 196.083 Cell parameters: 5.6921; 5.6921; 6.9882; 90; 90; 120;

COD ID: 1509267
CIF file	Formula: - Ag Cr S2 - Comments: de Lorent, V.; Hahn, H. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie 290 (1957) 68-81 Space group: R 3 m :H Cell volume: 216.079 Cell parameters: 3.487; 3.487; 20.52; 90; 90; 120;

COD ID: 1509271
CIF file	Formula: - Ag Cr Se2 - Comments: Hahn, H.; de Lorent, C. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie 290 (1957) 68-81 Space group: R 3 m :H Cell volume: 250.36 Cell parameters: 3.691; 3.691; 21.22; 90; 90; 120;

COD ID: 1509559
CIF file	Formula: - Ag Te3 - Comments: von Krziwanik, F.; Zabel, M.; Marx, R.; Panzer, B.; Rau, F.; Range, K.J. Ein neuer dreidimensionaler Tellur-Bauverband: Hochdrucksynthese und Kristallstruktur von Ag Te3 Angewandte Chemie (German Edition) 94 (1982) 717-718 Space group: R 3 m :H Cell volume: 341.221 Cell parameters: 8.645; 8.645; 5.272; 90; 90; 120;

COD ID: 1510099
CIF file	Formula: - Au Cr S2 - Comments: Sakashita, S.I.; Fukuoka, H.; Yamanaka, S. Preparation and structural study of a new ternary gold chromium sulfide, Au Cr S2 Journal of Solid State Chemistry 148 (1999) 487-491 Space group: R 3 m :H Cell volume: 225.4 Cell parameters: 3.4823; 3.4823; 21.463; 90; 90; 120;

COD ID: 1514438

Formula: - C40 H53 Mg N3 O2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: R 3 m :H
Cell volume: 10012
Cell parameters: 32.394; 32.394; 11.017; 90; 90; 120;

COD ID: 1517183

Formula: - C46 H77 N2 O2 S Si2 Y -
Comments: Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei 3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism Macromolecules 47(15) (2014) 4971
Space group: R 3 m :H
Cell volume: 13098.1
Cell parameters: 36.82; 36.82; 11.156; 90; 90; 120;

COD ID: 1520923
CIF file	Formula: - Co H0.79 K0.25 Na0.06 O2.3 - Comments: Butel, M.; Gautier, L.; Delmas, C. Cobalt oxyhydroxides obtained by 'chimie douce' reactions: structure and electronic conductivity properties Solid State Ionics 122 (1999) 271-284 Space group: R 3 m :H Cell volume: 141.303 Cell parameters: 2.83; 2.83; 20.3727; 90; 90; 120;

COD ID: 1520963
CIF file	Formula: - Ba0.03 Ca6.33 Ce0.47 Cl1.3 Fe2.55 H6.29 K0.25 Mn1.2 Na12 Nb0.8 O77.49 Si25.2 Sr0.72 Ti0.05 Y0.13 Zr3.27 - Comments: Ekimenkova, I.A.; Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of the Fe, Cl - analogue of kentbrooksite Doklady Akad. Nauk 370 (2000) 477-480 Space group: R 3 m :H Cell volume: 5275.62 Cell parameters: 14.262; 14.262; 29.949; 90; 90; 120;

COD ID: 1521263
CIF file	Formula: - O3 Pb Ti0.6 Zr0.4 - Comments: Joseph, J.; Sivasubramanian, V.; Vimala, T.M.; Murthy, V.R.K. Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the X-ray Rietveld method Journal of Materials Science 35 (2000) 1571-1575 Space group: R 3 m :H Cell volume: 403.149 Cell parameters: 5.739; 5.739; 14.1339; 90; 90; 120;

COD ID: 1521266
CIF file	Formula: - O3 Pb Ti0.47 Zr0.53 - Comments: Joseph, J.; Vimala, T.M.; Sivasubramanian, V.; Murthy, V.R.K. Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the X-ray Rietveld method Journal of Materials Science 35 (2000) 1571-1575 Space group: R 3 m :H Cell volume: 408.266 Cell parameters: 5.7651; 5.7651; 14.184; 90; 90; 120;

COD ID: 1521711
CIF file	Formula: - Mo0.4 Nb0.6 S2 - Comments: Kalikhman, V.L.; Golubnichaya, A.A. Structure of intermediate phases in quasibinary systems of disulfides of W, Mo, and Nb Kristallografiya 28 (1983) 801-802 Space group: R 3 m :H Cell volume: 165.737 Cell parameters: 3.2624; 3.2624; 17.981; 90; 90; 120;

COD ID: 1521745
CIF file	Formula: - Nb0.52 O3 Pb Sc0.48 - Comments: Perrin, C.; Menguy, N.; Suard, E.; Muller, C.; Caranoni, C.; Stepanov, A. Neutron diffraction study of the relaxor-ferroelectric phase transition in disordered Pb (Sc1/2 Nb1/2) O3 Journal of Physics: Condensed Matter 12 (2000) 7523-7539 Space group: R 3 m :H Cell volume: 203.908 Cell parameters: 5.7644; 5.7644; 7.0859; 90; 90; 120;

COD ID: 1521757

Formula: - Cl Cu3 S3 Te -
Comments: Pfitzner, A.; Reiser, S.; Nilges, T.; Kockelmann, W. Composite copper chalcogenide halides: neutron powder diffraction of Cu Cl Cu2 Te S3 and electrical properties of Cu Cl Cu2 Te S3, (Cu I)2 Cu3 Sb S3, and (Cu I)3 Cu2 Te S3 Journal of Solid State Chemistry 147 (1999) 170-176
Space group: R 3 m :H
Cell volume: 485.995
Cell parameters: 7.3502; 7.3502; 10.3873; 90; 90; 120;

COD ID: 1521821
CIF file	Formula: - Ca9.15 Ce0.08 Cl0.21 Fe2.11 H8.54 Hf0.05 Mn0.22 Na10.57 Nb0.58 O79.2 Si25.2 Ti0.05 Zr3.05 - Comments: Rastsvetaeva, R.K.; Ekimenkova, I.A.; Pekov, I.V. Crystal structure of a new Ca-rich analog of eudialyte Doklady Akad. Nauk 368 (1999) 636-638 Space group: R 3 m :H Cell volume: 5309.34 Cell parameters: 14.255; 14.255; 30.17; 90; 90; 120;

COD ID: 1522189
CIF file	Formula: - Bi La2 O4.5 - Comments: Wolcyrz, M.; Horyn, R.; Bouree, F. Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction Journal of Physics: Condensed Matter 11 (1999) 5757-5765 Space group: R 3 m :H Cell volume: 135.279 Cell parameters: 3.966; 3.966; 9.931; 90; 90; 120;

COD ID: 1523416
CIF file	Formula: - Al3.1 Ba5 Cu1.9 - Comments: Cordier, G.; Roehr, C. Zur Kenntnis der ternaeren Aluminide Ba5 Cu1.9 Al3.1, Ba16 Ag7 Al27 und Ba3 Ag14.6 Al6.4 Journal of the Less-Common Metals 170 (1991) 333-357 Space group: R 3 m :H Cell volume: 1217.18 Cell parameters: 6.14; 6.14; 37.281; 90; 90; 120;

COD ID: 1524107
CIF file	Formula: - Cl O3 Rb - Comments: Brunton, G. The absolute configuration of Rb Cl O3 Materials Research Bulletin 8 (1973) 791-794 Space group: R 3 m :H Cell volume: 262.683 Cell parameters: 6.092; 6.092; 8.173; 90; 90; 120;

COD ID: 1524802
CIF file	Formula: - K7.5003 Mo2.0001 O24.0003 Y1.5 - Comments: Lazoryak, B.I.; Efremov, V.A. Structural characteristics of K5 Y (Mo O4)4-alpha crystals Kristallografiya 26 (1981) 464-472 Space group: R 3 m :H Cell volume: 647.236 Cell parameters: 6.035; 6.035; 20.52; 90; 90; 120;

COD ID: 1525005
CIF file	Formula: - Al3.92 B3 Ca0.16 Cr2.18 H4 Mg2.8 Na0.84 O31 Si6 - Comments: Nuber, B.; Schmetzer, K. Die Gitterposition des Cr(+3) im Turmalin: Strukturverfeinerung eines Cr-reichen Mg-Al-Turmalin Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 137 (1979) 184-197 Space group: R 3 m :H Cell volume: 1614.94 Cell parameters: 15.997; 15.997; 7.287; 90; 90; 120;

COD ID: 1525006
CIF file	Formula: - Al7.599 B3 Ca0.65 Li1.401 Na0.35 O30.15 Si6 - Comments: Nuber, B.; Schmetzer, K. Strukturverfeinerung von Liddicoatit Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1981 (1981) 215-219 Space group: R 3 m :H Cell volume: 1555.26 Cell parameters: 15.875; 15.875; 7.126; 90; 90; 120;

COD ID: 1525220
CIF file	Formula: - Al5.47 B3 Ca0.67 H3.9 Mg3.53 Na0.33 O31 Si6 - Comments: Schmetzer, K.; Abraham, K.; Nuber, B. Zur Kristallchemie magnesium-reicher Turmaline Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 136 (1979) 93-112 Space group: R 3 m :H Cell volume: 1592.55 Cell parameters: 15.967; 15.967; 7.213; 90; 90; 120;

COD ID: 1525221
CIF file	Formula: - Al6.36 B3 Ca0.27 H3.5 Mg2.64 Na0.65 O31 Si6 - Comments: Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie magnesium-reicher Turmaline Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 136 (1979) 93-112 Space group: R 3 m :H Cell volume: 1581.15 Cell parameters: 15.923; 15.923; 7.201; 90; 90; 120;

COD ID: 1525528
CIF file	Formula: - Cr Cu S2 - Comments: le Nagard, N.; Collin, G.; Gorochov, O. Etude structurale et proprietes physiques de Cu Cr S2 Materials Research Bulletin 14 (1979) 1411-1417 Space group: R 3 m :H Cell volume: 196.202 Cell parameters: 3.482; 3.482; 18.686; 90; 90; 120;

COD ID: 1525953

Formula: - Ca4.85 Cl1.1 Fe1.983 H6.12 Hf0.045 K0.24 La0.3 Mn1.52 Na12.96 Nb0.7 O77.02 Si25.3 Sr1.8 Ti0.192 Zr3.105 -
Comments: Ekimenkova, I.A.; Rastsvetaeva, R.K.; Khomyakov, A.P. Refinement of the crystal structure of a Fe,Sr - analog of kentbrooksite Kristallografiya 45 (2000) 1010-1013
Space group: R 3 m :H
Cell volume: 5264.81
Cell parameters: 14.245; 14.245; 29.959; 90; 90; 120;

COD ID: 1526324
CIF file	Formula: - Al0.52 Ca2.7 Ce0.33 Cl0.53 Fe1.302 H5.27 K0.3 Mn Na17.553 Nb0.2 O77.46 Si24.96 Sr0.453 Ti0.3 Zr4.2 - Comments: Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of a hyperzirconium analog of eudialyte Kristallografiya 45 (2000) 251-253 Space group: R 3 m :H Cell volume: 5283.91 Cell parameters: 14.222; 14.222; 30.165; 90; 90; 120;

COD ID: 1526330

Formula: - Al0.19 Ca11.67 Ce0.03 Cl2.43 Fe2.19 H7.85 Hf0.06 K7.68 Mn0.36 Na27.31 Nb0.1 O150.8 Si51.51 Sr0.77 Ti0.6 Zr5.34 -
Comments: Rastsvetaeva, R.K.; Khomyakov, A.P. Modulated structure of a potassium-rich analog of eudialyte with a doubled parameter c Kristallografiya 46 (2001) 715-721
Space group: R 3 m :H
Cell volume: 10720.3
Cell parameters: 14.249; 14.249; 60.969; 90; 90; 120;

COD ID: 1526456
CIF file	Formula: - Fe0.5 O3 Pb Ta0.5 - Comments: Ivanov, S.A.; Eriksson, S.; Thomas, N.W.; Tellgren, R.; Rundlof, H. A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2 Ta1/2) O3 Journal of Physics: Condensed Matter 13 (2001) 25-33 Space group: R 3 m :H Cell volume: 192.683 Cell parameters: 5.6618; 5.6618; 6.9407; 90; 90; 120;

COD ID: 1527069
CIF file	Formula: - Fe3.808 Ni3.808 Te5.984 - Comments: Akesson, G.; Rost, E. The crystal structure of Fe0.28 Ni0.28 Te0.44 Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 79-84 Space group: R 3 m :H Cell volume: 277.907 Cell parameters: 3.972; 3.972; 20.34; 90; 90; 120;

COD ID: 1527148
CIF file	Formula: - I3 S24 Sb - Comments: Bjorvatten, T.; Lindheim, A.; Hassel, O. Crystal structure of the addition compound Sb I3:3 S8 Acta Chemica Scandinavica (1-27,1973-42,1988) 17 (1963) 689-702 Space group: R 3 m :H Cell volume: 2361.71 Cell parameters: 24.817; 24.817; 4.4279; 90; 90; 120;

COD ID: 1527527
CIF file	Formula: - As Se3 Tl3 - Comments: Hong, H.Y.-P.; Mikkelsen, J.C.Jr.; Roland, G.W. Crystal structure of Tl3 As Se3 Materials Research Bulletin 9 (1974) 365-370 Space group: R 3 m :H Cell volume: 598.489 Cell parameters: 9.87; 9.87; 7.094; 90; 90; 120;

COD ID: 1527926
CIF file	Formula: - Bi2 Ge3 Te6 - Comments: Petrov, I.I.; Imamov, R.M. Crystal structure determination for Ge3 Bi2 Te6 Kristallografiya 15 (1970) 168-170 Space group: R 3 m :H Cell volume: 936.321 Cell parameters: 4.21; 4.21; 61; 90; 90; 120;

COD ID: 1528147
CIF file	Formula: - S16 Ti9.2 - Comments: Tronc, E.; Huber, M. Polytypisme dans le systeme titane-soufre Journal of Physics and Chemistry of Solids 34 (1973) 2045-2058 Space group: R 3 m :H Cell volume: 1394.82 Cell parameters: 3.42; 3.42; 137.7; 90; 90; 120;

COD ID: 1528187
CIF file	Formula: - F2 N5 P S3 - Comments: Weiss, J.; Appel, R.; Ruppert, I. Die Kristall- und Molekuelstruktur von S3 N5 P F2 Zeitschrift fuer Anorganische und Allgemeine Chemie 406 (1974) 329-336 Space group: R 3 m :H Cell volume: 1641.93 Cell parameters: 18.91; 18.91; 5.302; 90; 90; 120;

COD ID: 1528775
CIF file	Formula: - In2 Se3 - Comments: Osamura, K.; Murakami, Y.; Tomiie, Y. Crystal Structures of alpha and beta- indium selenide, = In2 Se3 Journal of the Physical Society of Japan 21 (1966) 1848-1848 Space group: R 3 m :H Cell volume: 408.677 Cell parameters: 4.05; 4.05; 28.77; 90; 90; 120;

COD ID: 1528898
CIF file	Formula: - C5 Al4 Zr2 - Comments: Sugiura, K.; Iwata, T.; Yoshida, H.; Hashimoto, S.; Fukuda, K. Synthesis, crystal structures and Si solubilities of new layered carbides Zr2 Al4 C5 and Zr3 Al4 C6 Journal of Solid State Chemistry 181 (2008) 2864-2868 Space group: R 3 m :H Cell volume: 391.274 Cell parameters: 3.32169; 3.32169; 40.9479; 90; 90; 120;

COD ID: 1528899
CIF file	Formula: - C6 Al4 Zr3 - Comments: Sugiura, K.; Iwata, T.; Yoshida, H.; Hashimoto, S.; Fukuda, K. Synthesis, crystal structures and Si solubilities of new layered carbides Zr2 Al4 C5 and Zr3 Al4 C6 Journal of Solid State Chemistry 181 (2008) 2864-2868 Space group: R 3 m :H Cell volume: 466.976 Cell parameters: 3.31807; 3.31807; 48.9771; 90; 90; 120;

COD ID: 1528933
CIF file	Formula: - Mo Se2 - Comments: Towle, L.C.; Oberbeck, V.; Stajdohar, R.E.; Brown, B.E. Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature Polymorph Science 154 (1966) 895-896 Space group: R 3 m :H Cell volume: 182.001 Cell parameters: 3.292; 3.292; 19.392; 90; 90; 120;

COD ID: 1529124
CIF file	Formula: - Co Na0.6 O2 - Comments: Fouassier, C.; Matejka, G.; Reau, J.M.; Hagenmuller, P. Sur de Nouveaux Bronzes Oxygenes de Formule Nax Co O2 (x below or equal to 1). Le Systeme Cobalt-Oxygene-Sodium Journal of Solid State Chemistry 6 (1973) 532-537 Space group: R 3 m :H Cell volume: 114.732 Cell parameters: 2.831; 2.831; 16.53; 90; 90; 120;

COD ID: 1529514
CIF file	Formula: - Cr0.7 Na0.7 S2 Ti0.3 - Comments: Abou Ghaloun, O.; Rouxel, J.; Chevalier, P.; Trichet, L. Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system Solid State Ionics 2 (1981) 231-235 Space group: R 3 m :H Cell volume: 215.527 Cell parameters: 3.48; 3.48; 20.55; 90; 90; 120;

COD ID: 1530653
CIF file	Formula: - Cr S2 Tl - Comments: Rosenberg, M.; Knulle, A.; Platte, C.; Sabrowsky, H. Magnetic properties and structure of some ternary chromium chalcogenides with thallium and silver Journal of Physics and Chemistry of Solids 43 (1982) 87-95 Space group: R 3 m :H Cell volume: 237.622 Cell parameters: 3.538; 3.538; 21.92; 90; 90; 120;

COD ID: 1530672
CIF file	Formula: - Mo0.5 S2 Ta0.5 - Comments: Saeki, M.; Onoda, M. Preparation of 3s-type Mo.5 Ta.5 S2 Journal of the Less-Common Metals 135 (1987) 1-3 Space group: R 3 m :H Cell volume: 164.951 Cell parameters: 3.246; 3.246; 18.077; 90; 90; 120;

COD ID: 1530902
CIF file	Formula: - Cl2 Zr - Comments: Troyanov, S.I.; Tsyrelnikov, V.I. Synthesis and investigation of structure of zirconium dichloride Vestnik Moskovskogo Universiteta, Khimiya 14 (1973) 67-71 Space group: R 3 m :H Cell volume: 191.969 Cell parameters: 3.382; 3.382; 19.38; 90; 90; 120;

COD ID: 1531361
CIF file	Formula: - Ca6 Cl Fe3 H5 Na12 O71 Si24 Zr3 - Comments: Golyshev, V.M.; Simonov, V.I.; Belov, N.V. Crystal structure of eudialyte Kristallografiya 17 (1972) 1119-1123 Space group: R 3 m :H Cell volume: 5278.1 Cell parameters: 14.248; 14.248; 30.02199; 90; 90; 120;

COD ID: 1531368

Formula: - Al7.48 B3 Ca0.01 F0.43 Fe0.021 H3.25 Li0.37 Mn1.21 Na0.8 O30.57 Si5.8 -
Comments: Ertl, A.; Hughes, J.M.; Prowatke, S.; Fritz, E.A.; Rossman, G.R.; London, D. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra and relations to synthetic solid solutions American Mineralogist 88 (2003) 1369-1376
Space group: R 3 m :H
Cell volume: 1571.86
Cell parameters: 15.9456; 15.9456; 7.1384; 90; 90; 120;

COD ID: 1531370

Formula: - Al7.4 B3 Ca0.03 F0.48 Fe0.02 H3.33 Li0.48 Mn1.14 Na0.77 O30.52 Si5.83 Ti0.01 -
Comments: Ertl, A.; Fritz, E.A.; Hughes, J.M.; Rossman, G.R.; London, D.; Prowatke, S. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra and relations to synthetic solid solutions American Mineralogist 88 (2003) 1369-1376
Space group: R 3 m :H
Cell volume: 1570.42
Cell parameters: 15.941; 15.941; 7.136; 90; 90; 120;

COD ID: 1531372

Formula: - Al6.78 B3.24 Ca0.1 F0.11 Fe1.8 H3.31 K0.06 Mg0.198 Mn0.018 Na0.64 O30.89 Si5.76 Ti0.11 Zn0.03 -
Comments: Ertl, A.; Hughes, J.M. The crystal structure of an aluminum-rich schorl overgrown by boron-rich olenite from Koralpe, Styria, Austria Mineralogy and Petrology 75 (2002) 69-78
Space group: R 3 m :H
Cell volume: 1578.56
Cell parameters: 15.951; 15.951; 7.164; 90; 90; 120;

COD ID: 1531994
CIF file	Formula: - Al5.59 B3 Ca0.14 Fe2.3 H4 Mg1.11 Na0.78 O31 Si6 - Comments: Ondrus, P.; Vrana, S.; Maslan, M. Chemical composition and crystal structure refinement of schorl from the Lundazi pegmatite field, Zambia Bulletin of the Czech Geological Survey 77 (2002) 23-28 Space group: R 3 m :H Cell volume: 1591 Cell parameters: 15.9856; 15.9856; 7.1892; 90; 90; 120;

COD ID: 1532779

Formula: - Ba Fe0.5 O3 Ta0.5 -
Comments: Li Guobao; Lin Jianhua; Liao Fuhui; Tian Shujian; Liu Shixiang; Kohn, K.; Jing Xiping; Uesu, Y.; Cheng Zhaohua; Saitoh, K.; Terauchi, M.; Di Nai-Li The structural and electric properties of the perovskite system (Ba Ti O3) - (Ba (Fe0.5 Ta0.5) O3) Journal of Solid State Chemistry 177 (2004) 1695-1703
Space group: R 3 m :H
Cell volume: 200.737
Cell parameters: 5.7414; 5.7414; 7.0317; 90; 90; 120;

COD ID: 1533706

Formula: - La0.82 Mn O3.021 Sr0.17 -
Comments: Belous, A.G.; Pashkova, E.V.; V'yunov, O.I.; Yanchevskii, O.Z.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy 39 (2003) 212-222
Space group: R 3 m :H
Cell volume: 176.978
Cell parameters: 5.529; 5.529; 6.6849; 90; 90; 120;

COD ID: 1533714

Formula: - La0.83 Mn O3.068 Sr0.17 -
Comments: Belous, A.G.; V'yunov, O.I.; Pashkova, E.V.; Tovstolytkin, A.I.; Yanchevskii, O.Z.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy 39 (2003) 212-222
Space group: R 3 m :H
Cell volume: 177.59
Cell parameters: 5.5376; 5.5376; 6.6872; 90; 90; 120;

COD ID: 1533718

Formula: - La0.76 Mn O3.047 Sr0.23 -
Comments: Belous, A.G.; V'yunov, O.I.; Tovstolytkin, A.I.; Pashkova, E.V.; Yanchevskii, O.Z.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy 39 (2003) 212-222
Space group: R 3 m :H
Cell volume: 176.564
Cell parameters: 5.522; 5.522; 6.6862; 90; 90; 120;

COD ID: 1533722

Formula: - La0.69 Mn O3.054 Sr0.3 -
Comments: Belous, A.G.; Yanchevskii, O.Z.; V'yunov, O.I.; Pashkova, E.V.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy 39 (2003) 212-222
Space group: R 3 m :H
Cell volume: 174.39
Cell parameters: 5.4941; 5.4941; 6.6711; 90; 90; 120;

COD ID: 1533726

Formula: - La0.7 Mn O3.054 Sr0.3 -
Comments: Belous, A.G.; V'yunov, O.I.; Yanchevskii, O.Z.; Pashkova, E.V.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy 39 (2003) 212-222
Space group: R 3 m :H
Cell volume: 173.784
Cell parameters: 5.485; 5.485; 6.67; 90; 90; 120;

COD ID: 1533960

Formula: - I K O3 -
Comments: Kasatani, H.; Katayama, R.; Aoyagi, S.; Yagi, K.; Kuroiwa, Y.; Terauchi, H. Study of crystal structure at high temperature phase in K I O3 crystal by synchrotron powder X-ray diffraction Nuclear Instruments and Methods in Physics Research B: Beam Interaction with Materials and Atoms 199 (2003) 49-53
Space group: R 3 m :H
Cell volume: 275.81
Cell parameters: 6.3396; 6.3396; 7.9242; 90; 90; 120;

COD ID: 1534015

Formula: - Al6.18 B3 Ca0.18 F0.12 H3.68 Mg2.82 Na0.66 O30.88 Si6 -
Comments: Pertlik, F.; Ertl, A.; Schuster, R.; Brandstaetter, F.; Koerner, W. Na-rich dravite in the marbles from Friesach, Carinthia, Austria: chemistry and crystal structure Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 2003 (2003) 277-288
Space group: R 3 m :H
Cell volume: 1579.38
Cell parameters: 15.9459; 15.9459; 7.1723; 90; 90; 120;

COD ID: 1534298
CIF file	Formula: - Ag Cr S2 - Comments: Bongers, P.F.; van Bruggen, C.F.; Koopstra, J.; Omloo, W.P.F.A.M.; Wiegers, G.A.; Jellinek, F. Structures and magnetic properties of some metal(I) chromium(III) sulfides and selenides Journal of Physics and Chemistry of Solids 29 (1968) 977-984 Space group: R 3 m :H Cell volume: 217.301 Cell parameters: 3.496; 3.496; 20.53; 90; 90; 120;

COD ID: 1534299
CIF file	Formula: - Cr Cu Se2 - Comments: Bongers, P.F.; Jellinek, F.; van Bruggen, C.F.; Koopstra, J.; Omloo, W.P.F.A.M.; Wiegers, G.A. Structures and Magnetic Properties of Some Metal(I) Chromium(III) Sulfides and Selenides Journal of Physics and Chemistry of Solids 29 (1968) 977-984 Space group: R 3 m :H Cell volume: 226.679 Cell parameters: 3.676; 3.676; 19.37; 90; 90; 120;

COD ID: 1534300
CIF file	Formula: - Ag Cr Se2 - Comments: Bongers, P.F.; Omloo, W.P.F.A.M.; van Bruggen, C.F.; Koopstra, J.; Wiegers, G.A.; Jellinek, F. Structures and Magnetic Properties of Some Metal(I) Chromium(III) Sulfides and Selenides Journal of Physics and Chemistry of Solids 29 (1968) 977-984 Space group: R 3 m :H Cell volume: 249.257 Cell parameters: 3.682; 3.682; 21.23; 90; 90; 120;

COD ID: 1534648
CIF file	Formula: - In Se - Comments: Gomez da Costa, P.; Dandrea, R.G.; Wallis, R.F.; Balkanski, M. First-principles study of the electronic structure of gamma-InSe and beta-InSe Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 14135-14141 Space group: R 3 m :H Cell volume: 345.717 Cell parameters: 4; 4; 24.95; 90; 90; 120;

COD ID: 1535305
CIF file	Formula: - Cl8 Na2 Ti3 - Comments: Hinz, D.J.; Dedecke, T.; Meyer, G.; Urland, W. Natrium-octachlorotrititanat(II), Na2 Ti3 Cl8: Von isolierten (Ti2)+ -Ionen zu (Ti3)6+ -Clustern ? Angewandte Chemie (Edition international) 34 (1995) 71-73 Space group: R 3 m :H Cell volume: 859.687 Cell parameters: 6.991; 6.991; 20.311; 90; 90; 120;

COD ID: 1535328
CIF file	Formula: - Br1.94 Ce H - Comments: Michaelis, C.; Borrmann, H.; Mattausch, H.J.; Cockcroft, J.K.; Simon, A. Ln Hal2 Hn - Neue Phasen in den ternaeren Systemen Ln/Hal/H. I. Strukturen Zeitschrift fuer Anorganische und Allgemeine Chemie 607 (1992) 29-33 Space group: R 3 m :H Cell volume: 299.394 Cell parameters: 4.06; 4.06; 20.973; 90; 90; 120;

COD ID: 1535425
CIF file	Formula: - Al10.724 Ba0.638 Mg0.276 O17 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 849.935 Cell parameters: 5.619; 5.619; 31.084; 90; 90; 120;

COD ID: 1535427
CIF file	Formula: - Al10.234 Mg0.766 O17 Pb0.883 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 925.792 Cell parameters: 5.61; 5.61; 33.967; 90; 90; 120;

COD ID: 1535429
CIF file	Formula: - Al10.286 Mg0.714 O17 Sr0.857 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 919.06 Cell parameters: 5.61; 5.61; 33.72; 90; 90; 120;

COD ID: 1535432
CIF file	Formula: - Al10.1 Ca0.95 Mg0.9 O17 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 907.765 Cell parameters: 5.613; 5.613; 33.27; 90; 90; 120;

COD ID: 1535435
CIF file	Formula: - Al10.058 Cd0.971 Mg0.942 O17 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 906.639 Cell parameters: 5.62; 5.62; 33.146; 90; 90; 120;

COD ID: 1535438
CIF file	Formula: - Al10.27 Mg0.73 O17 Zn0.865 - Comments: Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics 9 (1983) 301-306 Space group: R 3 m :H Cell volume: 917.766 Cell parameters: 5.623; 5.623; 33.517; 90; 90; 120;

COD ID: 1535540
CIF file	Formula: - Mo S2 - Comments: Traill, R.J. A rhombohedral polytype of molybdenite Canadian Mineralogist 7 (1962) 524-526 Space group: R 3 m :H Cell volume: 158.514 Cell parameters: 3.16; 3.16; 18.32999; 90; 90; 120;

COD ID: 1536059
CIF file	Formula: - Co19.5 O48 - Comments: Jansen, M.; Kastner, P.; Hoppe, R. Zur Kenntnis der Systeme Li2 O/Co O und Li2 O/Zn O Zeitschrift fuer Anorganische und Allgemeine Chemie 414 (1975) 69-75 Space group: R 3 m :H Cell volume: 1185.98 Cell parameters: 13.1; 13.1; 7.98; 90; 90; 120;

COD ID: 1536063
CIF file	Formula: - O3 Zn0.64125 - Comments: Jansen, M.; Hoppe, R.; Kastner, P. Zur Kenntnis der Systeme Li2 O/Co O und Li2 O/Zn O Zeitschrift fuer Anorganische und Allgemeine Chemie 414 (1975) 69-75 Space group: R 3 m :H Cell volume: 1194.73 Cell parameters: 13.14; 13.14; 7.99; 90; 90; 120;

COD ID: 1536215
CIF file	Formula: - Cu2.5 Fe0.5 S2 - Comments: Daams, J.L.C.; Villars, P. Atomic environment classification of the rhombohedral "intermetallic" structure types Journal of Alloys Compd. 201 (1993) 11-16 Space group: R 3 m :H Cell volume: 258.013 Cell parameters: 3.862; 3.862; 19.97499; 90; 90; 120;

COD ID: 1536455
CIF file	Formula: - As I3 S24 - Comments: Kelly, J.F.; Krausz, E.; Samoc, A.; Samoc, M.; Willis, A.C. Crystal structure of the second order nonlinear optical addition complex, (As I3) * 3(S8) Australian Journal of Chemistry 55 (2002) 709-714 Space group: R 3 m :H Cell volume: 2338.46 Cell parameters: 24.739; 24.739; 4.412; 90; 90; 120;

COD ID: 1536589

Formula: - Cl13 H3 O2 S0.5 Te3 -
Comments: Pietikainen, J.; Maaninen, A.; Valkonen, J.; Laitinen, R.S.; Oilunkaniemi, R. Halogenation of tellurium by S O2 Cl2. Formation and crystal structures of (H3 O) (Te3 Cl13) * 0.5(S O2), ((C4 H8 O)2 H) (Te Cl5) * (C4 H8 O), ((Me2 S O)2 H)2 (Te Cl6) and (Ni (N C C H3)6) (Te2 Cl10) Polyhedron 21 (2002) 1089-1095
Space group: R 3 m :H
Cell volume: 1888.24
Cell parameters: 11.1455; 11.1455; 17.552; 90; 90; 120;

COD ID: 1536844
CIF file	Formula: - Al0.14 Ca6 Cl1.5 Fe1.2 H27 K2.2 Na3.8 Nb0.05 O85 Si25 Ti0.25 Zr3.39 - Comments: Rastsvetaeva, R.K.; Sokolova, M.N.; Borutskii, B.E. Crystal structure of potassium-oxonic eudialyte Kristallografiya 35 (1990) 1381-1387 Space group: R 3 m :H Cell volume: 5293.1 Cell parameters: 14.245; 14.245; 30.12; 90; 90; 120;

COD ID: 1537382
CIF file	Formula: - Cr Cu Se2 - Comments: Hahn, H.; de Lorent, V. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie 290 (1957) 68-81 Space group: R 3 m :H Cell volume: 226.166 Cell parameters: 3.669; 3.669; 19.4; 90; 90; 120;

COD ID: 1537383
CIF file	Formula: - Cr Cu S2 - Comments: Hahn, H.; de Lorent, V. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie 290 (1957) 68-81 Space group: R 3 m :H Cell volume: 199.274 Cell parameters: 3.492; 3.492; 18.87; 90; 90; 120;

COD ID: 1537648
CIF file	Formula: - Ga In S3 - Comments: Amiraslanov, I.R.; Guseinov, G.G.; Kuliev, A.S.; Mamedov, Kh.S.; Amirov, A.S. Crystal structure of three-packet polytype of Ga In S3 Kristallografiya 33 (1988) 767-768 Space group: R 3 m :H Cell volume: 576.342 Cell parameters: 3.808; 3.808; 45.894; 90; 90; 120;

COD ID: 1538413
CIF file	Formula: - Ca3 O5 Si - Comments: O'Daniel, H.; Hellner, E. Zur Struktur von 3 Ca O. Si O2 Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1950 (1950) 108-111 Space group: R 3 m :H Cell volume: 1082.05 Cell parameters: 7.078; 7.078; 24.94; 90; 90; 120;

COD ID: 1538514
CIF file	Formula: - Al3 Ba0.95 H7 O14 P2 - Comments: Radoslovich, E.W.; Slade, P.G. Pseudo-trigonal symmetry and the structure of Gorceixite Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1980 (1980) 157-170 Space group: R 3 m :H Cell volume: 740.987 Cell parameters: 7.0363; 7.0363; 17.28188; 90; 90; 120;

COD ID: 1538517
CIF file	Formula: - Al0.3 Ca6 Cl0.8 Fe1.35 H6.72 Na14 Nb0.13 O77.12 Si25.28 Ta0.51 Ti0.2 W0.09 Zr3 - Comments: Rastsvetaeva, R.K.; Moekkel, S.; Chukanov, N.V. Characteristic structural features of a tantalum-rich eudialyte variaty from Brazil Kristallografiya 48 (2003) 250-255 Space group: R 3 m :H Cell volume: 5300.66 Cell parameters: 14.245; 14.245; 30.163; 90; 90; 120;

COD ID: 1539328
CIF file	Formula: - Na S2 V - Comments: Wiegers, G.A.; Kloosterboer, H.J.; van Heiningen, H.; van der Meer, R.; Alberink, A.J.A. The sodium intercalates of vanadium disulfide and their hydrolysis products Materials Research Bulletin 9 (1974) 1261-1261 Space group: R 3 m :H Cell volume: 203.805 Cell parameters: 3.346; 3.346; 21.02; 90; 90; 120;

COD ID: 1539728
CIF file	Formula: - Ge Te - Comments: Chattopadhyay, T.K.; Boucherle, J.X.; von Schnering, H.G. Neutron diffraction study on the structural phase transition in Ge Te Journal of Physics C 20 (1987) 1431-1440 Space group: R 3 m :H Cell volume: 647.382 Cell parameters: 8.378; 8.378; 10.65; 90; 90; 120;

COD ID: 1539764
CIF file	Formula: - In2 S4 Zn - Comments: Biyushkina, A.V.; Donika, F.G.; Radautsan, S.I. Crystal structure of a six-stack polytype Zn In2 S4 (VI)a Doklady Akademii Nauk SSSR 306 (1989) 617-619 Space group: R 3 m :H Cell volume: 961.753 Cell parameters: 3.87; 3.87; 74.15; 90; 90; 120;

COD ID: 1539815

Formula: - In2 S5 Zn2 -
Comments: Donika, F.G.; Radautsan, S.I.; Mustya, I.G.; Kiosse, G.A.; Semiletov, S.A.; Donika, T.V. Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more careful determination of the structure of the triple-pack polytype Zn In2 S4 (III)a Soviet Physics, Crystallography (= Kristallografiya) 15 (1971) 698-700
Space group: R 3 m :H
Cell volume: 593.952
Cell parameters: 3.85; 3.85; 46.27; 90; 90; 120;

COD ID: 1541569
CIF file	Formula: - Ca6 Cl2 Fe3 H6 Na12 O72 Si24 Zr3 - Comments: Golyshev, V.M.; Simonov, V.I.; Belov, N.V. Crystal Structure of Eudialite Kristallografiya 16 (1971) 93-98 Space group: R 3 m :H Cell volume: 5280.36 Cell parameters: 14.252; 14.252; 30.01799; 90; 90; 120;

COD ID: 1541661
CIF file	Formula: - C Si - Comments: Tokonami, M. The structure determination of the 96R polytype of Si C by a direct method Mineralogical Journal (Japan) 4 (1966) 401-423 Space group: R 3 m :H Cell volume: 1987.32 Cell parameters: 3.08; 3.08; 241.9; 90; 90; 120;

COD ID: 1541720
CIF file	Formula: - Al7.7 B3 H2.9 Li0.4 Mn0.9 Na0.89 O31 Si6 - Comments: Nuber, B.; Schmetzer, K. Structural refinement of tsilaisite (manganese tourmaline) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1984 (1984) 301-304 Space group: R 3 m :H Cell volume: 1564.19 Cell parameters: 15.916; 15.916; 7.13; 90; 90; 120;

COD ID: 1542099
CIF file	Formula: - C H4 O6 Pb2 - Comments: Voronova, A.A.; Vainshtein, B.K. An electron-diffraction study of the crystal structure of Pb C O3 Pb O (H2 O)2 Kristallografiya 9 (1964) 197-203 Space group: R 3 m :H Cell volume: 564.255 Cell parameters: 5.23; 5.23; 23.81999; 90; 90; 120;

COD ID: 1544435
CIF file	Formula: - Nb0.667 O3 Pb Zn0.333 - Comments: Matsushima, Y.; Ishizawa, N.; Wakiya, N.; Mizutani, N. Structural study of PbZn1/3Nb2/3O3 by single crystal X-ray diffraction an EXAFS Journal of the Ceramic Society of Japan 108 (2000) 617-622 Space group: R 3 m :H Cell volume: 201.07 Cell parameters: 5.7411; 5.7411; 7.044; 90; 90; 120;

COD ID: 1544496
CIF file	Formula: - C6 Al3.96 Ge0.04 Zr3 - Comments: Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan 117 (2009) 22-26 Space group: R 3 m :H Cell volume: 445.801 Cell parameters: 3.31897; 3.31897; 46.7309; 90; 90; 120;

COD ID: 1544497
CIF file	Formula: - C5 Al3.93 Ge0.07 Zr2 - Comments: Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan 117 (2009) 22-26 Space group: R 3 m :H Cell volume: 391.435 Cell parameters: 3.32256; 3.32256; 40.9434; 90; 90; 120;

COD ID: 1544625

Formula: - Al7 B3 Ca Fe3 H4 O31 Si5 -
Comments: Nishio-Hamane, D.; Minakawa, T.; Yamaura, J.-I.; Oyama, T.; Ohnishi, M.; Shimobayashi, N. Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan Journal of Mineralogical and Petrological Sciences 109 (2014) 74-78
Space group: R 3 m :H
Cell volume: 1578.39
Cell parameters: 15.929; 15.929; 7.183; 90; 90; 120;

COD ID: 1544862
CIF file	Formula: - Al8.4 B3.42 H3 Li0.6 Na0.7 O31 Si5.58 - Comments: Sugiyama, K.; Arima, H.; Konno, H.; Kawamata, T. Distribution of Mn in pink elbaitic tourmaline from Mogok, Myanmar Journal of Mineralogical and Petrological Sciences 111 (2016) 1-8 Space group: R 3 m :H Cell volume: 1536.88 Cell parameters: 15.816; 15.816; 7.0944; 90; 90; 120;

COD ID: 1544908

Formula: - Al7.2 B3 Ca0.09 F0.72 H3 K0.06 Na0.64 O30 Si6 -
Comments: Kihara, K.; Hirata, H.; Ida, A.; Okudera, H.; Morishita, T. An X-ray single crystal study of asymmetric thermal vibrations and the positional disorder of atoms in elbaite Refinement type: harmonic Journal of Mineralogical and Petrological Sciences 102 (2007) 115-126
Space group: R 3 m :H
Cell volume: 1552.9
Cell parameters: 15.874; 15.874; 7.116; 90; 90; 120;

COD ID: 1545896
CIF file	Formula: - F15 Pr Zr3 - Comments: Laval, J. P.; Abaouz, A. Crystal chemistry of anion-excess ReO3-related phases : crystal structure of beta-PrZr3F15 Journal of Solid State Chemistry 96 (1992) 324-331 Space group: R 3 m :H Cell volume: 803.3 Cell parameters: 12.316; 12.316; 6.115; 90; 90; 120;

COD ID: 1556735

Formula: - Al7 B3 K Mg2 O28 Si6 -
Comments: Lussier, A.; Ball, N.A.; Hawthorne, F.C.; Henry, D.J.; Shimizu, R.; Ogasawara, Y.; Ota, T. Maruyamaite, K(MgAl2)(Al5Mg)Si6O18(BO3)3O, a potassium-dominant tourmaline from the ultrahigh-pressure Kokchetav massif, northern Kazakhstan: Description and crystal structure American Mineralogist 101 (2016) 355-361
Space group: R 3 m :H
Cell volume: 1593.2
Cell parameters: 15.955; 15.955; 7.227; 90; 90; 120;

COD ID: 1556971
CIF file	Formula: - B3 H4 Mg3 Na O30 Si6 V6 - Comments: Bosi, F.; Reznitskii, L.Z.; Sklyarov, E.V. Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the "vanadium-dravite" tourmaline American Mineralogist 98 (2013) 501-505 Space group: R 3 m :H Cell volume: 1683.21 Cell parameters: 16.1908; 16.1908; 7.4143; 90; 90; 120;

COD ID: 1556976

Formula: - Al7 B3 Fe2 H3 Na O31 Si6 -
Comments: Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A. Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Pribyslavice American Mineralogist 98 (2013) 485-492
Space group: R 3 m :H
Cell volume: 1583.1
Cell parameters: 15.9853; 15.9853; 7.1538; 90; 90; 120;

COD ID: 1556977

Formula: - Al7 B3 Fe2 H3 Na O31 Si6 -
Comments: Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A. Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Zlata Idka American Mineralogist 98 (2013) 485-492
Space group: R 3 m :H
Cell volume: 1559.2
Cell parameters: 15.916; 15.916; 7.1071; 90; 90; 120;

COD ID: 1557977

Formula: - Al7.95 B3 Ca0.01 F0.34 H3 Li1.05 Na0.58 O30.66 Si6 -
Comments: Novak, M.; Ertl, A.; Povondra, P.; Galiova, M.V.; Rossman, G.R.; Pristacz, H.; Prem, M.; Giester, G.; Gadas, P.; Skoda, R. Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup American Mineralogist 98 (2013) 1886-1892
Space group: R 3 m :H
Cell volume: 1534.3
Cell parameters: 15.809; 15.809; 7.089; 90; 90; 120;

COD ID: 1562211

Formula: - C3 H3 Dy O6 -
Comments: Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R. Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks Journal of Solid State Chemistry 219 (2014) 1-8
Space group: R 3 m :H
Cell volume: 369.04
Cell parameters: 10.384; 10.384; 3.952; 90; 90; 120;

COD ID: 1569813

Formula: - Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -
Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290
Space group: R 3 m :H
Cell volume: 1541.94
Cell parameters: 15.8313; 15.8313; 7.104; 90; 90; 120;

COD ID: 1569814

Formula: - Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 -
Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290
Space group: R 3 m :H
Cell volume: 1554.82
Cell parameters: 15.8839; 15.8839; 7.116; 90; 90; 120;

COD ID: 1569815

Formula: - Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 -
Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290
Space group: R 3 m :H
Cell volume: 1542.54
Cell parameters: 15.8345; 15.8345; 7.1039; 90; 90; 120;

COD ID: 1569816

Formula: - Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -
Comments: Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals 13(8) (2023) 1290
Space group: R 3 m :H
Cell volume: 1552.41
Cell parameters: 15.874; 15.874; 7.1138; 90; 90; 120;

COD ID: 1570738

Formula: - C3 H18 Ge3 I9 N3 -
Comments: Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature 620 (2023) 328-335
Space group: R 3 m :H
Cell volume: 683.09
Cell parameters: 8.4602; 8.4602; 11.0201; 90; 90; 120;

COD ID: 2002649
CIF file	Formula: - Ba Nb3 O6 - Comments: Moehr, S; Mueller-Buschbaum, Hk Ueber ein gemischtvalentes Oxoniobat mit planaren Polygonen um Niob und Barium: Ba Nb2+ (Nb4+)2 O6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 49 (1994) 915-918 Space group: R 3 m :H Cell volume: 395.6 Cell parameters: 11.4333; 11.4333; 3.4949; 90; 90; 120;

COD ID: 2003109
CIF file Original IUCr paper	Formula: - C10 H15 Li - Comments: Robert E. Dinnebier Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium Acta Crystallographica Section B 55(1) (1999) 35-44 Space group: R 3 m :H Cell volume: 722.19 Cell parameters: 14.7711; 14.7711; 3.82206; 90; 90; 120;

COD ID: 2003323
CIF file Original IUCr paper	Formula: - Al8 B3 Li Na O31 Si6 - Comments: MacDonald, D. J.; Hawthorne, F. C. Cu-Bearing Tourmaline from Paraiba, Brazil Acta Crystallographica Section C 51(4) (1995) 555-557 Space group: R 3 m :H Cell volume: 1535.7 Cell parameters: 15.818; 15.818; 7.087; 90; 90; 120;

COD ID: 2003324
CIF file Original IUCr paper	Formula: - Al8 B3 Li Na O31 Si6 - Comments: MacDonald, D. J.; Hawthorne, F. C. Cu-Bearing Tourmaline from Paraiba, Brazil Acta Crystallographica Section C 51(4) (1995) 555-557 Space group: R 3 m :H Cell volume: 1532.5 Cell parameters: 15.805; 15.805; 7.084; 90; 90; 120;

COD ID: 2006974
CIF file	Formula: - Ga3 O7 P - Comments: Sophie Boudin; Kwang-Hwa Lii Ga~3~PO~7~ Acta Crystallographica Section C 54 (1998) 05-07 Space group: R 3 m :H Cell volume: 362.21 Cell parameters: 7.885; 7.885; 6.727; 90; 90; 120;

COD ID: 2015986
CIF file Original IUCr paper	Formula: - C16 H28 O3 - Comments: Branko Kaitner; Vladimir Stilinović Conformational enantiomeric disorder in tripivaloylmethane Acta Crystallographica Section C 63(6) (2007) o353-o354 Space group: R 3 m :H Cell volume: 1238.1 Cell parameters: 15.711; 15.711; 5.792; 90; 90; 120;

COD ID: 2016801

Formula: - C9 H6 N12 S4 Zn4 -
Comments: Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A. Poly[μ~4~-sulfido-tris(thiocyanato-κN)tris(μ~3~-1,2,4-triazolato-κ^3^N^1^:N^2^:N^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer Acta Crystallographica Section C 64(10) (2008) m327-m329
Space group: R 3 m :H
Cell volume: 1428.97
Cell parameters: 13.9947; 13.9947; 8.4249; 90; 90; 120;

COD ID: 2020160

Formula: - C2 Ba Ce F O6 -
Comments: Fan, H.-F.; Yao, J.-X.; Main, P.; Woolfson, M.M. On the application of phase relationships to complex structures. XXIII. Automatic determination of crystal structures having pseudo-translational symmetry by a modified MULTAN procedure Acta Crystallographica C (39,1983-) 39 (1983) 566-569
Space group: R 3 m :H
Cell volume: 855.004
Cell parameters: 5.07; 5.07; 38.40799; 90; 90; 120;

COD ID: 2020535
CIF file HKL data	Formula: - B Ge2 Li4 - Comments: Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C 72(7) (2016) 561-565 Space group: R 3 m :H Cell volume: 315.63 Cell parameters: 4.4603; 4.4603; 18.3197; 90; 90; 120;

COD ID: 2101131

Formula: - C9 H15 N3 O3 -
Comments: Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science 50(2) (1994) 243-251
Space group: R 3 m :H
Cell volume: 788
Cell parameters: 13.74; 13.74; 4.82; 90; 90; 120;

COD ID: 2103389
CIF file Original IUCr paper	Formula: - C15 H21 Ni3 P3 - Comments: Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B 58(5) (2002) 893-899 Space group: R 3 m :H Cell volume: 1381.46 Cell parameters: 16.861; 16.861; 5.611; 90; 90; 120;

COD ID: 2103728

Formula: - C13 Cl9 -
Comments: Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P. Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit Acta Crystallographica Section B 57(5) (2001) 680-691
Space group: R 3 m :H
Cell volume: 1145
Cell parameters: 18.704; 18.704; 3.7792; 90; 90; 120;

COD ID: 2104621
CIF file Original IUCr paper	Formula: - K N O3 - Comments: Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B 65(6) (2009) 659-663 Space group: R 3 m :H Cell volume: 232.99 Cell parameters: 5.4698; 5.4698; 8.992; 90; 90; 120;

COD ID: 2104622
CIF file Original IUCr paper	Formula: - K N O3 - Comments: Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B 65(6) (2009) 659-663 Space group: R 3 m :H Cell volume: 225.56 Cell parameters: 5.4325; 5.4325; 8.8255; 90; 90; 120;

COD ID: 2104745
CIF file Original IUCr paper	Formula: - Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R 3 m :H Cell volume: 1586.2 Cell parameters: 15.9607; 15.9607; 7.19; 90; 90; 120;

COD ID: 2104756
CIF file Original IUCr paper	Formula: - Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 - Comments: Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B 66(3) (2010) 271-279 Space group: R 3 m :H Cell volume: 1586.2 Cell parameters: 15.9608; 15.9608; 7.19; 90; 90; 120;

COD ID: 2105070

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: R 3 m :H
Cell volume: 635.15
Cell parameters: 8.8349; 8.8349; 9.396; 90; 90; 120;

COD ID: 2105347
CIF file	Formula: - Ag N O3 - Comments: Capponi, J.J.; Meyer, P. Structure d'une phase 'haute temperature' du nitrate d'argent Acta Crystallographica B (24,1968-38,1982) 38 (1982) 2543-2546 Space group: R 3 m :H Cell volume: 198.507 Cell parameters: 5.196; 5.196; 8.49; 90; 90; 120;

COD ID: 2106552
CIF file	Formula: - In Se - Comments: Likforman, A.; Carre, D.; Bachet, J.E.; Bachet, B. Structure cristalline du monoseleniure d'indium In Se Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1252-1254 Space group: R 3 m :H Cell volume: 350.844 Cell parameters: 4; 4; 25.32; 90; 90; 120;

COD ID: 2106968
CIF file	Formula: - Cl3 Cs Mn - Comments: Goodyear, J.; Kennedy, D.J. The crystal structure of Cs Mn Cl3 Acta Crystallographica B (24,1968-38,1982) 29 (1973) 744-748 Space group: R 3 m :H Cell volume: 1264.74 Cell parameters: 7.29; 7.29; 27.48; 90; 90; 120;

COD ID: 2106998
CIF file	Formula: - Cd I2 - Comments: Jain, R.K.; Trigunayat, G.C.; Chadha, G.K. Crystal structures of four new polytypes of cadmium iodide Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1785-1791 Space group: R 3 m :H Cell volume: 1915.46 Cell parameters: 4.24; 4.24; 123.03; 90; 90; 120;

COD ID: 2107280
CIF file Original IUCr paper	Formula: - Br K O3 - Comments: Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso Crystal behavior of potassium bromate under compression Acta Crystallographica Section B 71(6) (2015) 798-804 Space group: R 3 m :H Cell volume: 255.35 Cell parameters: 6.0104; 6.0104; 8.162; 90; 90; 120;

COD ID: 2107333
CIF file	Formula: - C Si - Comments: Dubey, M.; Ram, U.S.; Singh, G. A new polytype of silicon carbide, 189R Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1548-1550 Space group: R 3 m :H Cell volume: 3907.84 Cell parameters: 3.079; 3.079; 475.9778; 90; 90; 120;

COD ID: 2203238
CIF file	Formula: - La N3 O6 - Comments: Qing-Qing Kang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng La(NO~2~)~3~, a novel (3,9)-connected lanthanide-based network Acta Crystallographica, Section E 60(2) (2004) i12-i14 Space group: R 3 m :H Cell volume: 400.21 Cell parameters: 10.6226; 10.6226; 4.0954; 90; 90; 120;

COD ID: 2204445

Formula: - C18 H21 Ag Cl N3 -
Comments: Näther, Christian; Beck, Andreas Chlorotris(3-methylpyridine-κN)silver(I) Acta Crystallographica Section E 60(11) (2004) m1678-m1680
Space group: R 3 m :H
Cell volume: 1401.76
Cell parameters: 14.6795; 14.6795; 7.5114; 90; 90; 120;

COD ID: 2209751

Formula: - C3 H3 O6 Sm -
Comments: Yan Xu; Shao-Hua Ding; Guang-Peng Zhou; Yu-Guo Liu Samarium(III) formate Acta Crystallographica Section E 62(8) (2006) m1749-m1750
Space group: R 3 m :H
Cell volume: 382.7
Cell parameters: 10.503; 10.503; 4.006; 90; 90; 120;

COD ID: 2212304

Formula: - C54 H46 F12 N8 P2 Pd2 -
Comments: Hai-Ping Huang; Qiong Wu; Li-Xia Liu; Qing-Fu Song Bis(μ-3,5-diphenylpyrazolato-κ^2^N:N')-bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate) Acta Crystallographica Section E 63(2) (2007) m458-m459
Space group: R 3 m :H
Cell volume: 15637.7
Cell parameters: 38.2597; 38.2597; 12.3356; 90; 90; 120;

COD ID: 2215465

Formula: - C24 H40 B Cl N6 Ni -
Comments: Adam D. Beitelman; Gregory M. Ferrence A redetermination of chlorido[hydridotris(3-tert-butyl-5-methylpyrazolyl)borato]nickel(II) Acta Crystallographica Section E 63(10) (2007) m2520-m2521
Space group: R 3 m :H
Cell volume: 2068.22
Cell parameters: 15.89; 15.89; 9.4584; 90; 90; 120;

COD ID: 2222448

Formula: - C7.33333 H9.33333 Cl2 O3 -
Comments: Tafeenko, Viktor A.; Aslanov, Leonid A.; Proskurnina, Marina V.; Sosonyuk, Sergei E.; Khlevin, Dmitrii A. 3-exo-Chloro-8-oxabicyclo[3.2.1]oct-6-ene-2,4-diol chloroform 0.33-solvate Acta Crystallographica Section E 65(7) (2009) o1580
Space group: R 3 m :H
Cell volume: 2078.3
Cell parameters: 18.687; 18.687; 6.8723; 90; 90; 120;

COD ID: 2300111

Formula: - In2 Mn0.4 S4 Zn0.6 -
Comments: Ávila-Godoy, Rosario; Mora, Asiloé J.; Acosta-Najarro, Dwight R.; Delgado, Gerzon E.; López-Rivera, Santos A.; Fitch, Andrew N.; Mora, Andrés E.; Steeds, John W. Structure of the quaternary alloy Zn~0.6~Mn~0.4~In~2~S~4~ from synchrotron powder diffraction and electron transmission microscopy Journal of Applied Crystallography 39(1) (2006) 1-5
Space group: R 3 m :H
Cell volume: 483.91
Cell parameters: 3.875218; 3.875218; 37.20846; 90; 90; 120;

COD ID: 2300498
CIF file Original IUCr paper	Formula: - K0.5 Na0.5 Nb O3 - Comments: Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M. Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~ Journal of Applied Crystallography 48(2) (2015) Space group: R 3 m :H Cell volume: 188.46 Cell parameters: 5.6085; 5.6085; 6.9183; 90; 90; 120;

COD ID: 2300613
CIF file HKL data	Formula: - B6 Br K3 O10 - Comments: Xia, Mingjun; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian Thermo-physical properties of nonlinear optical crystal K~3~B~6~O~10~Br Journal of Applied Crystallography 49(2) (2016) 539-543 Space group: R 3 m :H Cell volume: 787.4 Cell parameters: 10.1252; 10.1252; 8.8687; 90; 90; 120;

COD ID: 2310533
CIF file	Formula: - Nb Se2 - Comments: Brown, B.E.; Beerntsen, D.J. Layer structure polytism among niobium and tantalum selenides Acta Crystallographica (1,1948-23,1967) 18 (1965) 31-36 Space group: R 3 m :H Cell volume: 194.613 Cell parameters: 3.45; 3.45; 18.88; 90; 90; 120;

COD ID: 2310588
CIF file	Formula: - C Si - Comments: Gomes de Mesquita, A.H. The structure of a silicone carbide polytype 24R Acta Crystallographica (1,1948-23,1967) 18 (1965) 128-128 Space group: R 3 m :H Cell volume: 497.599 Cell parameters: 3.082; 3.082; 60.49; 90; 90; 120;

COD ID: 2310813
CIF file	Formula: - S Zn - Comments: Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T. Polytype families in zinc sulfide crystals Acta Crystallographica (1,1948-23,1967) 22 (1967) 808-812 Space group: R 3 m :H Cell volume: 1898.64 Cell parameters: 3.82; 3.82; 150.24; 90; 90; 120;

COD ID: 2310814
CIF file	Formula: - S Zn - Comments: Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T. Polytype families in zinc sulfide crystals Acta Crystallographica (1,1948-23,1967) 22 (1967) 808-812 Space group: R 3 m :H Cell volume: 2373.3 Cell parameters: 3.82; 3.82; 187.8; 90; 90; 120;

COD ID: 2310872
CIF file	Formula: - Ca3 O5 Si - Comments: Jeffery, J.W. The crystal structure of tricalcium silicate Acta Crystallographica (1,1948-23,1967) 5 (1952) 26-35 Space group: R 3 m :H Cell volume: 1060.88 Cell parameters: 7; 7; 25; 90; 90; 120;

COD ID: 2310933
CIF file	Formula: - C Si - Comments: Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967) 5 (1952) 215-224 Space group: R 3 m :H Cell volume: 558.256 Cell parameters: 3.079; 3.079; 67.99599; 90; 90; 120;

COD ID: 2310934
CIF file	Formula: - C Si - Comments: Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967) 5 (1952) 215-244 Space group: R 3 m :H Cell volume: 1054.48 Cell parameters: 3.079; 3.079; 128.437; 90; 90; 120;

COD ID: 2310935
CIF file	Formula: - C Si - Comments: Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967) 5 (1952) 215-224 Space group: R 3 m :H Cell volume: 1553.84 Cell parameters: 3.079; 3.079; 189.259; 90; 90; 120;

COD ID: 2310936
CIF file	Formula: - C Si - Comments: Ramsdell, L.S.; Kohn, J.A. Development in silicon carbide research Acta Crystallographica (1,1948-23,1967) 5 (1952) 215-224 Space group: R 3 m :H Cell volume: 1736.8 Cell parameters: 3.079; 3.079; 211.543; 90; 90; 120;

COD ID: 2311038
CIF file	Formula: - C3 Al6 N2 - Comments: Jeffrey, G.A.; Wu, V.Y. The structures of the aluminum carbonitrides. II Acta Crystallographica (1,1948-23,1967) 20 (1966) 538-547 Space group: R 3 m :H Cell volume: 365.72 Cell parameters: 3.248; 3.248; 40.03; 90; 90; 120;

COD ID: 2311039
CIF file	Formula: - C3 Al8 N4 - Comments: Jeffrey, G.A.; Wu, V.Y. The structures of the aluminum carbonitrides. II Acta Crystallographica (1,1948-23,1967) 20 (1966) 538-547 Space group: R 3 m :H Cell volume: 491.819 Cell parameters: 3.211; 3.211; 55.08; 90; 90; 120;

COD ID: 2311055
CIF file	Formula: - Cu6.9984 Fe1.3968 S5.598 - Comments: Morimoto, N. Structures of two polymorphic forms of Cu5 Fe S4 Acta Crystallographica (1,1948-23,1967) 17 (1964) 351-360 Space group: R 3 m :H Cell volume: 245.789 Cell parameters: 3.87; 3.87; 18.95; 90; 90; 120;

COD ID: 2311062
CIF file	Formula: - Al7.8 B3 Ca0.125 Fe0.1 H3 Li Mn0.1 Na0.875 O31 Si6 - Comments: Ito, T.; Sadanaga, R. A Fourier analysis of the structure of tourmaline Acta Crystallographica (1,1948-23,1967) 4 (1951) 385-390 Space group: R 3 m :H Cell volume: 1589.61 Cell parameters: 16; 16; 7.17; 90; 90; 120;

COD ID: 3000228
CIF file	Formula: - Cl Cs O3 - Comments: Reiner, G.; Wartchow, R. On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . IV. Crystal structure of Cs Cl O3 at 298 K Institutionelles Repositorium der Leibniz Universitaet Hannover (2019) Space group: R 3 m :H Cell volume: 294.99 Cell parameters: 6.424; 6.424; 8.254; 90; 90; 120;

COD ID: 4000771

Formula: - Al2 Mn S4 -
Comments: Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y. High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+) Chemistry of Materials 23(12) (2011) 3086
Space group: R 3 m :H
Cell volume: 432
Cell parameters: 3.7013; 3.7013; 36.416; 90; 90; 120;

COD ID: 4001399
CIF file	Formula: - C3 H3 Ce0.9 Gd0.1 O6 - Comments: Go, Yong Bok; Jacobson, Allan J. Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route Chemistry of Materials 19(19) (2007) 4702 Space group: R 3 m :H Cell volume: 404.4 Cell parameters: 10.673; 10.673; 4.099; 90; 90; 120;

COD ID: 4002264
CIF file	Formula: - Ga S8 V4 - Comments: Pocha, R.; Poettgen, R.; Johrendt, D. Electronic and structural instabilities in Ga V4 S8 and Ga Mo4 S8 Chemistry of Materials (1,1989-) 12 (2000) 2882-2887 Space group: R 3 m :H Cell volume: 671.838 Cell parameters: 6.799; 6.799; 16.782; 90; 90; 120;

COD ID: 4002674

Formula: - B5 Be2 F O12 Sr3 -
Comments: Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R. A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups Chemistry of Materials 28(13) (2016) 4563
Space group: R 3 m :H
Cell volume: 774.06
Cell parameters: 10.3179; 10.3179; 8.3958; 90; 90; 120;

COD ID: 4002889
CIF file	Formula: - Cs I O3 - Comments: Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System Chemistry of Materials 30(3) (2018) 1136 Space group: R 3 m :H Cell volume: 305.55 Cell parameters: 6.6051; 6.6051; 8.087; 90; 90; 120;

COD ID: 4003973

Formula: - Ga Mo4 Se8 -
Comments: Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials (2021)
Space group: R 3 m :H
Cell volume: 787.485
Cell parameters: 7.21984; 7.21984; 17.44441; 90; 90; 120;

COD ID: 4003976

Formula: - Ga Mo4 Se8 -
Comments: Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials (2021)
Space group: R 3 m :H
Cell volume: 787.437
Cell parameters: 7.22163; 7.22163; 17.43472; 90; 90; 120;

COD ID: 4003979

Formula: - Ga Mo4 Se8 -
Comments: Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials (2021)
Space group: R 3 m :H
Cell volume: 787.42
Cell parameters: 7.22081; 7.22081; 17.4383; 90; 90; 120;

COD ID: 4003982

Formula: - Ga Mo4 Se8 -
Comments: Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials (2021)
Space group: R 3 m :H
Cell volume: 787.481
Cell parameters: 7.21861; 7.21861; 17.45028; 90; 90; 120;

COD ID: 4003991

Formula: - Ga Mo4 Se8 -
Comments: Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials (2021)
Space group: R 3 m :H
Cell volume: 787.472
Cell parameters: 7.22055; 7.22055; 17.44069; 90; 90; 120;

COD ID: 4030246
CIF file	Formula: - Ba Fe O2.93 - Comments: Parras, M.; Vallet-Regi, M.; Gonzalet-Calbet, J. M.; Grenier, J. C.; Hagenmullet, P.; Rodriguez-Carvajal, J. A structural study of 12H-BaFe02.93 European Journal of Solid State and Inorganic Chemistry 26 (1989) 299-312 Space group: R 3 m :H Cell volume: 784.96 Cell parameters: 5.6915; 5.6915; 27.981; 90; 90; 120;

COD ID: 4065646
CIF file	Formula: - C28 H28 Au2 P2 - Comments: Nguyen, Minh-Hai; Yip, John H. K. Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation Organometallics 29(11) (2010) 2422 Space group: R 3 m :H Cell volume: 8023.8 Cell parameters: 32.5214; 32.5214; 8.7601; 90; 90; 120;

COD ID: 4067930

Formula: - C34 H35 Cl2 N3 O6 S3 -
Comments: Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study Organometallics 31(1) (2012) 318
Space group: R 3 m :H
Cell volume: 2733.1
Cell parameters: 17.866; 17.866; 9.887; 90; 90; 120;

COD ID: 4102270

Formula: - C24 H40 B Cl Co N6 -
Comments: J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser Cobalt(II) "Scorpionate" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy Journal of the American Chemical Society 132 (2010) 5241-5253
Space group: R 3 m :H
Cell volume: 2085.9
Cell parameters: 15.9843; 15.9843; 9.4269; 90; 90; 120;

COD ID: 4103186

Formula: - C14 H7 Cu O5 -
Comments: Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity Journal of the American Chemical Society 132 (2010) 13941-13948
Space group: R 3 m :H
Cell volume: 15932.3
Cell parameters: 26.3043; 26.3043; 26.5885; 90; 90; 120;

COD ID: 4103911

Formula: - C3 H12 B N -
Comments: Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations Journal of the American Chemical Society 131 (2009) 2231-2243
Space group: R 3 m :H
Cell volume: 420.63
Cell parameters: 9.0792; 9.0792; 5.8922; 90; 90; 120;

COD ID: 4106144

Formula: - B6 Cl K3 O10 -
Comments: Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge Journal of the American Chemical Society 133 (2011) 7786-7790
Space group: R 3 m :H
Cell volume: 774.8
Cell parameters: 10.0624; 10.0624; 8.8361; 90; 90; 120;

COD ID: 4112542
CIF file	Formula: - C272 H202 Cl28 - Comments: Xianfeng Shen; Douglas M. Ho; Robert A. Pascal Synthesis of Polyphenylene Dendrimers Related to "Cubic Graphite" Journal of the American Chemical Society 126 (2004) 5798-5805 Space group: R 3 m :H Cell volume: 23965 Cell parameters: 48.2928; 48.2928; 11.8656; 90; 90; 120;

COD ID: 4114916
CIF file	Formula: - Cs H6 Na O14 Si4 V - Comments: Xiqu Wang; Lumei Liu; Allan J. Jacobson Open-Framework and Microporous Vanadium Silicates Journal of the American Chemical Society 124 (2002) 7812-7820 Space group: R 3 m :H Cell volume: 3484 Cell parameters: 13.5674; 13.5674; 21.855; 90; 90; 120;

COD ID: 4115480
CIF file	Formula: - C13 Cl9 - Comments: P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon Perchlorophenalenyl Radical Journal of the American Chemical Society 123 (2001) 3864-3871 Space group: R 3 m :H Cell volume: 1145 Cell parameters: 18.704; 18.704; 3.7792; 90; 90; 120;

COD ID: 4122440

Formula: - C4 H2.05 Co O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3924.5
Cell parameters: 25.8595; 25.8595; 6.7766; 90; 90; 120;

COD ID: 4122441

Formula: - C4 H Co D1.69 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3921.7
Cell parameters: 25.8419; 25.8419; 6.781; 90; 90; 120;

COD ID: 4122442

Formula: - C4 H Co O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3923.5
Cell parameters: 25.8734; 25.8734; 6.7677; 90; 90; 120;

COD ID: 4122444

Formula: - C4 H D3.85 Ni O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3886.4
Cell parameters: 25.776; 25.776; 6.7544; 90; 90; 120;

COD ID: 4122445

Formula: - C4 H Co D5.63 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3954.7
Cell parameters: 25.8923; 25.8923; 6.8115; 90; 90; 120;

COD ID: 4122446

Formula: - C4 H Co D3.47 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3946.8
Cell parameters: 25.8826; 25.8826; 6.803; 90; 90; 120;

COD ID: 4122447

Formula: - C4 H D1.97 Ni O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3869.4
Cell parameters: 25.749; 25.749; 6.739; 90; 90; 120;

COD ID: 4122448

Formula: - C4 H Co D3.73 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3946.7
Cell parameters: 25.8806; 25.8806; 6.8038; 90; 90; 120;

COD ID: 4122449

Formula: - C4 H Co O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3941.9
Cell parameters: 25.8902; 25.8902; 6.79046; 90; 90; 120;

COD ID: 4122450

Formula: - C4 H Co D2.37 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3928.8
Cell parameters: 25.8518; 25.8518; 6.7881; 90; 90; 120;

COD ID: 4122451

Formula: - C4 H D5.77 Ni O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3898.2
Cell parameters: 25.802; 25.802; 6.7613; 90; 90; 120;

COD ID: 4122453

Formula: - C4 H Co D2.71 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3929.9
Cell parameters: 25.8521; 25.8521; 6.7898; 90; 90; 120;

COD ID: 4122454

Formula: - C4 H Co D4.49 O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3956.7
Cell parameters: 25.9008; 25.9008; 6.8104; 90; 90; 120;

COD ID: 4122455

Formula: - C4 H Ni O3 -
Comments: Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society 136(34) (2014) 12119
Space group: R 3 m :H
Cell volume: 3878.2
Cell parameters: 25.797; 25.797; 6.7292; 90; 90; 120;

COD ID: 4123586

Formula: - C6 H12 N3 P -
Comments: Britvin, Sergey N.; Lotnyk, Andriy Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand. Journal of the American Chemical Society 137(16) (2015) 5526-5535
Space group: R 3 m :H
Cell volume: 543.194
Cell parameters: 9.4937; 9.4937; 6.9591; 90; 90; 120;

COD ID: 4123710

Formula: - Cs Ge I3 -
Comments: Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society 137(21) (2015) 6804-6819
Space group: R 3 m :H
Cell volume: 641.89
Cell parameters: 8.3582; 8.3582; 10.6098; 90; 90; 120;

COD ID: 4123711

Formula: - C H6 Ge I3 N -
Comments: Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society 137(21) (2015) 6804-6819
Space group: R 3 m :H
Cell volume: 707.2
Cell parameters: 8.5534; 8.5534; 11.162; 90; 90; 120;

COD ID: 4123712

Formula: - C H5 Ge I3 N2 -
Comments: Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society 137(21) (2015) 6804-6819
Space group: R 3 m :H
Cell volume: 728.2
Cell parameters: 8.4669; 8.4669; 11.729; 90; 90; 120;

COD ID: 4124624
CIF file	Formula: - Mo S2 - Comments: Bell, R.E.; Herfert, R.E. Preparation and characterization of a new crystalline form of molybdenum bisulfide Journal of the American Chemical Society 79 (1957) 3351-3354 Space group: R 3 m :H Cell volume: 159.75 Cell parameters: 3.171; 3.171; 18.34499; 90; 90; 120;

COD ID: 4126155

Formula: - C28 H64 Mn4 N8 -
Comments: Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J. Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex. Journal of the American Chemical Society 139(13) (2017) 4675-4681
Space group: R 3 m :H
Cell volume: 11348.5
Cell parameters: 34.7647; 34.7647; 10.8425; 90; 90; 120;

COD ID: 4126609

Formula: - C12 H10 Co2 O6 -
Comments: Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R. M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations. Journal of the American Chemical Society (2017)
Space group: R 3 m :H
Cell volume: 3916.1
Cell parameters: 25.751; 25.751; 6.8192; 90; 90; 120;

COD ID: 4127188

Formula: - C14.15 H10.91 Co2 O6.61 -
Comments: Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R. Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks. Journal of the American Chemical Society (2018)
Space group: R 3 m :H
Cell volume: 3926.4
Cell parameters: 25.8977; 25.8977; 6.7599; 90; 90; 120;

COD ID: 4133727

Formula: - C7.28 H7.56 Co O3 -
Comments: Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society 141(45) (2019) 18325-18333
Space group: R 3 m :H
Cell volume: 4001
Cell parameters: 25.982; 25.982; 6.8437; 90; 90; 120;

COD ID: 4133728

Formula: - C8.17 H8.28 Co O3 -
Comments: Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society 141(45) (2019) 18325-18333
Space group: R 3 m :H
Cell volume: 4036.7
Cell parameters: 26.089; 26.089; 6.8483; 90; 90; 120;

COD ID: 4305348

Formula: - C24 H31 B N9 Tl -
Comments: Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers Inorganic Chemistry 47 (2008) 5945-5950
Space group: R 3 m :H
Cell volume: 2009.4
Cell parameters: 16.8644; 16.8644; 8.1583; 90; 90; 120;

COD ID: 4305386
CIF file	Formula: - C15 H24 F6 O3 P Re S3 - Comments: Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions Inorganic Chemistry 47 (2008) 5902-5909 Space group: R 3 m :H Cell volume: 1589.7 Cell parameters: 11.1729; 11.1729; 14.705; 90; 90; 120;

COD ID: 4306275

Formula: - H56 K11 O146 P4 Rb7 Ti9 W27 -
Comments: Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry 47 (2008) 8574-8576
Space group: R 3 m :H
Cell volume: 10439.8
Cell parameters: 29.7444; 29.7444; 13.6254; 90; 90; 120;

COD ID: 4306276

Formula: - Cs11.5 K1.5 Na1.5 O134 Si3 Ti10 W27 -
Comments: Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry 47 (2008) 8574-8576
Space group: R 3 m :H
Cell volume: 12647.7
Cell parameters: 30.3253; 30.3253; 15.8808; 90; 90; 120;

COD ID: 4308704

Formula: - C69 H60 Dy N3 O3 Si3 -
Comments: Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films Inorganic Chemistry 44 (2005) 1588-1600
Space group: R 3 m :H
Cell volume: 5523
Cell parameters: 22.937; 22.937; 12.123; 90; 90; 120;

COD ID: 4309242
CIF file	Formula: - C33 H96 O44 Zr13 - Comments: Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford Methyltriskaidecazirconates, Molecular Forms of Zirconia Inorganic Chemistry 44 (2005) 5397-5404 Space group: R 3 m :H Cell volume: 7090.5 Cell parameters: 17.2672; 17.2672; 27.4602; 90; 90; 120;

COD ID: 4310717
CIF file	Formula: - C12 Cl3 Cs7 Mo4 N12 Na4 Se4 - Comments: Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters Inorganic Chemistry 43 (2004) 1902-1911 Space group: R 3 m :H Cell volume: 3258.9 Cell parameters: 11.5386; 11.5386; 28.264; 90; 90; 120;

COD ID: 4312088
CIF file	Formula: - C23 H29 Cl3 Mo N4 O3 - Comments: Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes Inorganic Chemistry 43 (2004) 7800-7806 Space group: R 3 m :H Cell volume: 6075.5 Cell parameters: 27.7; 27.7; 9.143; 90; 90; 120;

COD ID: 4312579
CIF file	Formula: - C24 H54 N6 V - Comments: Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates Inorganic Chemistry 42 (2003) 7951-7958 Space group: R 3 m :H Cell volume: 2127.5 Cell parameters: 16.205; 16.205; 9.355; 90; 90; 120;

COD ID: 4319886

Formula: - Na6 P4 Pb3 S16 -
Comments: Jennifer A. Aitken; Mercouri G. Kanatzidis α-Na6Pb3(PS4)4, a Noncentrosymmetric Thiophosphate with the Novel, Saucer-Shaped [Pb3(PS4)4]6- Cluster, and Its Metastable, 3-Dimensionally Polymerized Allotrope β-Na6Pb3(PS4)4 Inorganic Chemistry 40 (2001) 2938-2939
Space group: R 3 m :H
Cell volume: 2022.63
Cell parameters: 19.4527; 19.4527; 6.172; 90; 90; 120;

COD ID: 4322862
CIF file	Formula: - C60 H24 Ba N8 - Comments: Klaus Himmel; Martin Jansen Synthesis and Single-Crystal Structure Analysis of [Ba(NH3)7]C60.NH3 Inorganic Chemistry 37 (1998) 3437-3439 Space group: R 3 m :H Cell volume: 2776.7 Cell parameters: 12.223; 12.223; 21.461; 90; 90; 120;

COD ID: 4323083
CIF file	Formula: - Cl Cu3 S3 Te - Comments: A. Pfitzner CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman Spectroscopic Characterization of a New Zincblende Derivative Inorganic Chemistry 37 (1998) 5164-5167 Space group: R 3 m :H Cell volume: 488.07 Cell parameters: 7.361; 7.361; 10.401; 90; 90; 120;

COD ID: 4323187
CIF file	Formula: - Mo9 O18 Pr4 - Comments: J. Tortelier; P. Gougeon Pr~4~Mo~9~O~18~, an Atypical, Novel, Ternary Reduced Molybdenum Oxide Containing Unusual Mo~7~, Mo~13~ and Mo~19~ Clusters. Synthesis, Crystal Structure, and Physical Properties Inorganic Chemistry 37 (1998) 6229-6236 Space group: R 3 m :H Cell volume: 5631.8 Cell parameters: 11.36; 11.36; 50.392; 90; 90; 120;

COD ID: 4325385
CIF file	Formula: - Ba15 O675 Rb29 U90 - Comments: Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra Inorganic Chemistry 50 (2011) 5509-5516 Space group: R 3 m :H Cell volume: 54325 Cell parameters: 55.286; 55.286; 20.523; 90; 90; 120;

COD ID: 4325703
CIF file	Formula: - B5 Be2 H O13 Sr3 - Comments: Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry 50 (2011) 6809-6813 Space group: R 3 m :H Cell volume: 776.5 Cell parameters: 10.2843; 10.2843; 8.477; 90; 90; 120;

COD ID: 4325704
CIF file	Formula: - B5 Ba3 Be2 H O13 - Comments: Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry 50 (2011) 6809-6813 Space group: R 3 m :H Cell volume: 855.6 Cell parameters: 10.5615; 10.5615; 8.8574; 90; 90; 120;

COD ID: 4326177

Formula: - C189 H309 B9 Cl9 Cr9 Cu9 N108 O51 -
Comments: Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]- Inorganic Chemistry 50 (2011) 8636-8644
Space group: R 3 m :H
Cell volume: 24148.3
Cell parameters: 34.6504; 34.6504; 23.2241; 90; 90; 120;

COD ID: 4333657
CIF file	Formula: - Au4.27 Zn8.26 - Comments: Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry 52 (2013) 1328-1337 Space group: R 3 m :H Cell volume: 1195.57 Cell parameters: 13.1029; 13.1029; 8.041; 90; 90; 120;

COD ID: 4333658
CIF file	Formula: - Au4.84 Zn7.85 - Comments: Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry 52 (2013) 1328-1337 Space group: R 3 m :H Cell volume: 1211 Cell parameters: 13.1366; 13.1366; 8.103; 90; 90; 120;

COD ID: 4333659
CIF file	Formula: - Au4.58 Zn8.12 - Comments: Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry 52 (2013) 1328-1337 Space group: R 3 m :H Cell volume: 1211.7 Cell parameters: 13.1345; 13.1345; 8.1103; 90; 90; 120;

COD ID: 4333660
CIF file	Formula: - Au4.42 Zn8.19 - Comments: Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry 52 (2013) 1328-1337 Space group: R 3 m :H Cell volume: 1209.3 Cell parameters: 13.133; 13.133; 8.096; 90; 90; 120;

COD ID: 4334360

Formula: - C28 H63 Al Ce O7 -
Comments: Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry 52 (2013) 4002-4010
Space group: R 3 m :H
Cell volume: 2846.5
Cell parameters: 15.775; 15.775; 13.208; 90; 90; 120;

COD ID: 4334361

Formula: - C28 H63 Ce Fe O7 -
Comments: Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry 52 (2013) 4002-4010
Space group: R 3 m :H
Cell volume: 2874.8
Cell parameters: 15.815; 15.815; 13.272; 90; 90; 120;

COD ID: 4335924
CIF file	Formula: - C12 H34 N3 Na3 O29 U3 - Comments: Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems Inorganic Chemistry 52 (2013) 10191-10198 Space group: R 3 m :H Cell volume: 2549.17 Cell parameters: 16.5975; 16.5975; 10.6852; 90; 90; 120;

COD ID: 4336235

Formula: - Ge0.6 Li0.2 Sb0.2 Te -
Comments: Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry 52 (2013) 11288-11294
Space group: R 3 m :H
Cell volume: 162.966
Cell parameters: 4.2459; 4.2459; 10.4382; 90; 90; 120;

COD ID: 4336236

Formula: - Ge0.733 Li0.133 Sb0.133 Te -
Comments: Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry 52 (2013) 11288-11294
Space group: R 3 m :H
Cell volume: 161.178
Cell parameters: 4.2029; 4.2029; 10.536; 90; 90; 120;

COD ID: 4336406

Formula: - C3 H3 Ce O6 -
Comments: Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes Inorganic Chemistry 52 (2013) 11734-11743
Space group: R 3 m :H
Cell volume: 409.01
Cell parameters: 10.706; 10.706; 4.1205; 90; 90; 120;

COD ID: 4340360

Formula: - Ag0.067 Ge0.767 Sb0.133 Te -
Comments: Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering. Inorganic chemistry 53(14) (2014) 7722-7729
Space group: R 3 m :H
Cell volume: 161.001
Cell parameters: 4.20935; 4.20935; 10.4922; 90; 90; 120;

COD ID: 4343722
CIF file	Formula: - Cs F O2 S - Comments: Kessler, U.; van Wuellen, L.; Jansen, M. Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F) Inorganic Chemistry 40 (2001) 7040-7046 Space group: R 3 m :H Cell volume: 301.268 Cell parameters: 6.5922; 6.5922; 8.005; 90; 90; 120;

COD ID: 4344206
CIF file	Formula: - H3 N S2 Ti - Comments: Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R. Structural studies of the intercalation complexes Ti S2 (N H3) and Ta S2 (N H3) Inorganic Chemistry 14 (1975) 1691-1696 Space group: R 3 m :H Cell volume: 270.037 Cell parameters: 3.427; 3.427; 26.55; 90; 90; 120;

COD ID: 4344945

Formula: - C3 H5 I3 N2 Sn -
Comments: Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry 56(1) (2017) 56-73
Space group: R 3 m :H
Cell volume: 2601
Cell parameters: 9.2735; 9.2735; 34.924; 90; 90; 120;

COD ID: 4344954

Formula: - C2 H7 I3 N2 Sn -
Comments: Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry 56(1) (2017) 56-73
Space group: R 3 m :H
Cell volume: 2599.6
Cell parameters: 9.2529; 9.2529; 35.06; 90; 90; 120;

COD ID: 4349413

Formula: - C32 H72 F6 Mn4 N8 P -
Comments: Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J. Covalent Metal-Metal-Bonded Mn4 Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism. Inorganic chemistry 56(7) (2017) 3733-3737
Space group: R 3 m :H
Cell volume: 3379.4
Cell parameters: 13.26; 13.26; 22.193; 90; 90; 120;

COD ID: 4503531
CIF file	Formula: - Ga3 O7 P - Comments: Xu, Guogang; Li, Jing; Wang, Jiyang; Zhao, Hongyang; Liu, Hong Flux Growth and Characterizations of Ga3PO7Single Crystals Crystal Growth & Design 8(10) (2008) 3577 Space group: R 3 m :H Cell volume: 364.9 Cell parameters: 7.897; 7.897; 6.757; 90; 90; 120;

COD ID: 4510302

Formula: - B6 Br K2.87 Na0.13 O10 -
Comments: Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design 14(4) (2014) 1794
Space group: R 3 m :H
Cell volume: 775.1
Cell parameters: 10.071; 10.071; 8.824; 90; 90; 120;

COD ID: 4510303

Formula: - B6 Br K2.33 Na0.67 O10 -
Comments: Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design 14(4) (2014) 1794
Space group: R 3 m :H
Cell volume: 771.1
Cell parameters: 10.05; 10.05; 8.816; 90; 90; 120;

COD ID: 4514448
CIF file	Formula: - C24 H5.26 Co6 I2.66 O18 - Comments: Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces 11(29) (2019) 25817-25823 Space group: R 3 m :H Cell volume: 3912.1 Cell parameters: 25.805; 25.805; 6.7837; 90; 90; 120;

COD ID: 4514449
CIF file	Formula: - C24 H5.06 Co6 I3.49 O18 - Comments: Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces 11(29) (2019) 25817-25823 Space group: R 3 m :H Cell volume: 3892.2 Cell parameters: 25.819; 25.819; 6.742; 90; 90; 120;

COD ID: 4514451
CIF file	Formula: - C24 H4.54 Co6 I5.71 O18 - Comments: Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces 11(29) (2019) 25817-25823 Space group: R 3 m :H Cell volume: 3911.3 Cell parameters: 25.802; 25.802; 6.784; 90; 90; 120;

COD ID: 4516618

Formula: - C53.25 H44 Cl9 Cr3 N10.5 O44.92 -
Comments: Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K. Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials. ACS applied materials & interfaces 8(42) (2016) 28424-28427
Space group: R 3 m :H
Cell volume: 9225.9
Cell parameters: 15.2032; 15.2032; 46.09; 90; 90; 120;

COD ID: 4518280

Formula: - Ag7.75 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3417.6
Cell parameters: 12.912; 12.912; 23.67; 90; 90; 120;

COD ID: 4518281

Formula: - Ag9.54 O108.74 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3432.3
Cell parameters: 12.9559; 12.9559; 23.611; 90; 90; 120;

COD ID: 4518282

Formula: - Ag13.82 O121.24 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3513.69
Cell parameters: 13.2131; 13.2131; 23.2393; 90; 90; 120;

COD ID: 4518284

Formula: - Ag7.8 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3429.8
Cell parameters: 12.943; 12.943; 23.641; 90; 90; 120;

COD ID: 4518285

Formula: - Ag7.98 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3433.5
Cell parameters: 12.955; 12.955; 23.623; 90; 90; 120;

COD ID: 4518286

Formula: - Ag11.41 O112.23 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3495.7
Cell parameters: 13.115; 13.115; 23.4675; 90; 90; 120;

COD ID: 5000097

Formula: - Al22.78 B9.11 Ca0.42 F1.81 Fe0.09 H8.62 K0.01 Li3.74 Mn0.84 Na1.69 O91.19 Si17.94 -
Comments: Donnay, G; Barton, R Refinement of the Crystal Structure of Elbaite and the Mechanism of Tourmaline Solid Solution Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 18 (1972) 273-286
Space group: R 3 m :H
Cell volume: 1543.1
Cell parameters: 15.838; 15.838; 7.1032; 90; 90; 120;

COD ID: 5000114
CIF file	Formula: - Ni S - Comments: Rajamani, V; Prewitt, C T The crystal structure of millerite Canadian Mineralogist 12 (1974) 253-257 Space group: R 3 m :H Cell volume: 252.4 Cell parameters: 9.619; 9.619; 3.1499; 90; 90; 120;

COD ID: 7003528
CIF file	Formula: - C14 H30 B10 N2 Ti - Comments: Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions (issue 11) (2008) 1454-1464 Space group: R 3 m :H Cell volume: 5702.7 Cell parameters: 25.806; 25.806; 9.888; 90; 90; 120;

COD ID: 7003529
CIF file	Formula: - C15 H32 B10 N2 Ti - Comments: Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions (issue 11) (2008) 1454-1464 Space group: R 3 m :H Cell volume: 5782.8 Cell parameters: 26.0448; 26.0448; 9.8439; 90; 90; 120;

COD ID: 7004547

Formula: - C3 H3 Nd O6 -
Comments: Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions (issue 44) (2008) 6165-6169
Space group: R 3 m :H
Cell volume: 394.8
Cell parameters: 10.5916; 10.5916; 4.0637; 90; 90; 120;

COD ID: 7004548

Formula: - C3 H3 O6 Pr -
Comments: Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions (issue 44) (2008) 6165-6169
Space group: R 3 m :H
Cell volume: 399.651
Cell parameters: 10.6344; 10.6344; 4.0806; 90; 90; 120;

COD ID: 7005816

Formula: - C6 H18 Cl I N3 P -
Comments: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003) (issue 30) (2007) 3252-3258
Space group: R 3 m :H
Cell volume: 977.62
Cell parameters: 8.2595; 8.2595; 16.5475; 90; 90; 120;

COD ID: 7005818

Formula: - C6 H18 Br0.5 Cl0.5 I N3 P -
Comments: Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003) (issue 30) (2007) 3252-3258
Space group: R 3 m :H
Cell volume: 986.4
Cell parameters: 8.2719; 8.2719; 16.646; 90; 90; 120;

COD ID: 7012553

Formula: - C35 H53 Li N2 O3 -
Comments: Carey, David T.; Cope-Eatough, Elaine K.; Vilaplana-Mafé, Eva; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J. Structures and reactions of monomeric and dimeric lithium diazapentadienyl complexes with electrophiles: synthesis of α-C,C'-dialkyl-β-diimines, and dissolution-reversible synthesis of an α-alkoxylithium-β-diimine Dalton Transactions (issue 6) (2003) 1083
Space group: R 3 m :H
Cell volume: 8287
Cell parameters: 32.123; 32.123; 9.273; 90; 90; 120;

COD ID: 7021728

Formula: - C12 H57 Cu Mo16 N3 Na5 O76 V2 -
Comments: Li, Fengyan; Meng, Fanzhi; Ma, Lifang; Xu, Lin; Sun, Zhixia; Gao, Qiao 3D pure inorganic framework based on polymolybdovanadate possessing photoelectric properties. Dalton transactions (Cambridge, England : 2003) 42(34) (2013) 12079-12082
Space group: R 3 m :H
Cell volume: 21736.8
Cell parameters: 37.0306; 37.0306; 18.3039; 90; 90; 120;

COD ID: 7027051

Formula: - C3 H12 Ga N -
Comments: Brain, Paul T.; Brown, Helen E.; Downs, Anthony J.; Greene, Tim M.; Johnsen, Emma; Parsons, Simon; Rankin, David W. H.; Smart, Bruce A.; Tang, Christina Y. Molecular structure of trimethylamine‒gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies † Journal of the Chemical Society, Dalton Transactions (issue 21) (1998) 3685
Space group: R 3 m :H
Cell volume: 498.88
Cell parameters: 9.2971; 9.2971; 6.6646; 90; 90; 120;

COD ID: 7035576

Formula: - C H92 K9 Mn6 O156 Si3 W30 -
Comments: Yang, Ling; Liu, Qisen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping A CO3(2-)-containing, dimanganese-substituted silicotungstate trimer, K9[H14{SiW10Mn(II)Mn(III)O38}3(CO3)]·39H2O. Dalton transactions (Cambridge, England : 2003) 44(30) (2015) 13469-13472
Space group: R 3 m :H
Cell volume: 10641
Cell parameters: 30.13; 30.13; 13.5343; 90; 90; 120;

COD ID: 7040323

Formula: - Cs10 H42 Mn Na3 Nb9 O138 Si3 W27 -
Comments: Wang, Haiying; Liang, Zhijie; Wang, Yaya; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang Insight into the reactivity of in situ formed {(NbO2)3SiW9}: synthesis, structure, and solution properties of a trimeric polytungstosilicate trapping a {MnNb9} core. Dalton transactions (Cambridge, England : 2003) 45(38) (2016) 15236-15241
Space group: R 3 m :H
Cell volume: 13107.1
Cell parameters: 30.722; 30.722; 16.0353; 90; 90; 120;

COD ID: 7040599

Formula: - C10 H33 Cl3 Mo3 O10 -
Comments: Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S. Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation. Dalton transactions (Cambridge, England : 2003) 45(41) (2016) 16309-16316
Space group: R 3 m :H
Cell volume: 1656.1
Cell parameters: 16.8738; 16.8738; 6.7163; 90; 90; 120;

COD ID: 7044055
CIF file	Formula: - Co2 H3 O9 P3 Pb - Comments: Kovrugin, Vadim M.; Colmont, Marie; Siidra, Oleg I.; Krivovichev, Sergey V.; Colis, Silviu; Mentré, Olivier The First Lead Cobalt Phosphite, PbCo2(HPO3)3 Dalton Trans. (2017) Space group: R 3 m :H Cell volume: 623.6 Cell parameters: 5.3145; 5.3145; 25.494; 90; 90; 120;

COD ID: 7045817

Formula: - C22 H34 Cu N7 O2 -
Comments: Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N. Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands. Dalton transactions (Cambridge, England : 2003) 47(15) (2018) 5335-5341
Space group: R 3 m :H
Cell volume: 1928.4
Cell parameters: 16.177; 16.177; 8.509; 90; 90; 120;

COD ID: 7056068

Formula: - B3 Be3 F4 Li O9 Sr3 -
Comments: Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers New J. Chem. (2017)
Space group: R 3 m :H
Cell volume: 767.7
Cell parameters: 10.3062; 10.3062; 8.3458; 90; 90; 120;

COD ID: 7100121
CIF file	Formula: - C48 H57 Cl6 Ir3 N6 - Comments: Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications (2005) Space group: R 3 m :H Cell volume: 3761 Cell parameters: 24.096; 24.096; 7.479; 90; 90; 120;

COD ID: 7101561

Formula: - Cs6 H8 Hg4 O4 Sn3 Te13 -
Comments: Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6} Chemical Communications (issue 46) (2006)
Space group: R 3 m :H
Cell volume: 3793
Cell parameters: 15.88; 15.88; 17.367; 90; 90; 120;

COD ID: 7102647
CIF file	Formula: - Cd4 K6 Se13 Sn3 - Comments: Mercouri Kanatzidis; Duck-Young Chung; Nan Ding K6Cd4Sn3Se13: A polar open-framework compound based on the partially destroyed supertetrahedral [Cd4Sn4Se17]10- cluster Chemical communications (Cambridge, England) (issue 10) (2004) 1170-1171 Space group: R 3 m :H Cell volume: 3231.9 Cell parameters: 15.0338; 15.0338; 16.512; 90; 90; 120;

COD ID: 7109719

Formula: - C53.25 H98.33 Cl9 Cr3 N13 O52.4 -
Comments: Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks Chem.Commun. 49 (2013) 8154
Space group: R 3 m :H
Cell volume: 9225.9
Cell parameters: 15.2032; 15.2032; 46.09; 90; 90; 120;

COD ID: 7111137
CIF file	Formula: - C B4 Cl6 O - Comments: Jeffery, John C.; Norman, Nicholas C.; Pardoe, Jennifer A. J.; Timms, Peter L. Synthesis and structures of carbonyl adducts of the boranes B(BX2)3 (X = F, Cl) Chemical Communications (issue 23) (2000) 2367 Space group: R 3 m :H Cell volume: 816.8 Cell parameters: 11.15; 11.15; 7.586; 90; 90; 120;

COD ID: 7111871
CIF file	Formula: - C30 H18 Cu2 O10 - Comments: Jianfeng Cai; Xingtang Rao; Yabing He; Jancan Yu; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian A highly porous NbO type metal-organic framework constructed from an expanded tetracarboxylate Chem.Commun. 50 (2014) 1552 Space group: R 3 m :H Cell volume: 21672 Cell parameters: 26.2119; 26.2119; 36.423; 90; 90; 120;

COD ID: 7126095

Formula: - C26 H51 Cl4 Co8 N5 O12 -
Comments: Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming Tetrahedral μ4-chloride and in situ generated octahedral μ6-sulfide templating Co8 complexes with different distortions of the cube. Chemical communications (Cambridge, England) 56(30) (2020) 4236-4239
Space group: R 3 m :H
Cell volume: 3249.3
Cell parameters: 14.8782; 14.8782; 16.9496; 90; 90; 120;

COD ID: 7127115

Formula: - Cu3 F N O10 Pb Se2 -
Comments: Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen Pb(OF)Cu3(SeO3)2(NO3): a selenite fluoride nitrate with a breathing kagomé lattice. Chemical communications (Cambridge, England) 56(80) (2020) 11965-11968
Space group: R 3 m :H
Cell volume: 720.753
Cell parameters: 6.6973; 6.6973; 18.5548; 90; 90; 120;

COD ID: 7130222
CIF file	Formula: - C6 H80 Gd3 K3 Na21 O147 P Sb3 W28 - Comments: Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications (2022) Space group: R 3 m :H Cell volume: 11749.7 Cell parameters: 30.6714; 30.6714; 14.4221; 90; 90; 120;

COD ID: 7130223
CIF file	Formula: - C6 H82 K3 Na21 O148 P Sb3 W28 Y3 - Comments: Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications (2022) Space group: R 3 m :H Cell volume: 11881.7 Cell parameters: 30.6654; 30.6654; 14.5899; 90; 90; 120;

COD ID: 7130224
CIF file	Formula: - C6 H82 K3 Na21 O148 P Sb3 W28 Y3 - Comments: Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications (2022) Space group: R 3 m :H Cell volume: 11822.9 Cell parameters: 30.5911; 30.5911; 14.5883; 90; 90; 120;

COD ID: 7130225
CIF file	Formula: - C6 H80 K3 Na21 O147 P Sb3 W28 Yb3 - Comments: Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications (2022) Space group: R 3 m :H Cell volume: 11704.3 Cell parameters: 30.5334; 30.5334; 14.4965; 90; 90; 120;

COD ID: 7130695

Formula: - Ge2 O4 Sr3 Te3 -
Comments: Sun, Mengran; Xing, Wenhao; Lee, Ming-Hsien; Yao, Jiyong Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr3Ge2O4Te3. Chemical communications (Cambridge, England) 58(79) (2022) 11167-11170
Space group: R 3 m :H
Cell volume: 832.3
Cell parameters: 10.5223; 10.5223; 8.68; 90; 90; 120;

COD ID: 7153524
CIF file	Formula: - C57 H51 N6 O10.5 - Comments: Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J. Building blocks for cyclotriveratrylene-based coordination networks Organic & Biomolecular Chemistry 2(20) (2004) 2958-2964 Space group: R 3 m :H Cell volume: 3895.12 Cell parameters: 31.0859; 31.0859; 4.6544; 90; 90; 120;

COD ID: 7205749
CIF file	Formula: - B6 Br K3 O10 - Comments: Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br CrystEngComm 13(8) (2011) 2899 Space group: R 3 m :H Cell volume: 785.02 Cell parameters: 10.1153; 10.1153; 8.8592; 90; 90; 120;

COD ID: 7207099
CIF file	Formula: - C13.5 H21 O3 - Comments: Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion Solid state supramolecular assemblies of triol podands through H-bonds CrystEngComm 14(2) (2012) 632 Space group: R 3 m :H Cell volume: 1991.97 Cell parameters: 15.8078; 15.8078; 9.2047; 90; 90; 120;

COD ID: 7209396
CIF file	Formula: - Au P0.96 Si0.92 - Comments: Jeitschko, W.; Kaiser, P. Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 462-468 Space group: R 3 m :H Cell volume: 178.222 Cell parameters: 3.459; 3.459; 17.2; 90; 90; 120;

COD ID: 7210683

Formula: - C12 H31 Cu3 N7 O8 -
Comments: Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties CrystEngComm 15(17) (2013) 3484
Space group: R 3 m :H
Cell volume: 5967.6
Cell parameters: 24.401; 24.401; 11.5733; 90; 90; 120;

COD ID: 7210684