Search results

Formula: - Bi0.5 O7 P2 Ta0.5 -
Comments: Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure European Journal of Solid State Inorganic Chemistry 28 (1991) 23-36
Space group: P a -3
Cell volume: 562.1
Cell parameters: 8.253; 8.253; 8.253; 90; 90; 90;

COD ID: 1000328

Formula: - O7 P1.901 Ta0.899 -
Comments: Oyetola, S; Verbaere, A; Guyomard, D; Crosnier, M P; Piffard, Y; Tournoux, M New ZrP~2~O~7~-like diphosphates of either mixed (M^III^~1/2~M'^V^~1/2~) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^ cations (M'=Ta,Nb):synthesis and structure European Journal of Solid State Inorganic Chemistry 28 (1991) 23-36
Space group: P a -3
Cell volume: 533.2
Cell parameters: 8.109; 8.109; 8.109; 90; 90; 90;

COD ID: 1000342
CIF file	Formula: - Ba F5.5 H1.5 Nb O1.5 - Comments: Crosnier-Lopez, M P; Duroy, H; Fourquet, J L BaNbF~7-x~(OH)~x~: preparation and crystal structure European Journal of Solid State Inorganic Chemistry 30 (1993) 549-556 Space group: P a -3 Cell volume: 977.9 Cell parameters: 9.9259; 9.9259; 9.9259; 90; 90; 90;

COD ID: 1000413
CIF file	Formula: - C3 H18 F6 Fe N9 - Comments: Fourquet, J L; Plet, F; Calage, Y; DePape, R Crystal structure and magnetic characterization of (C (N H2)3)3 Fe F6 Journal of Solid State Chemistry 69 (1987) 76-80 Space group: P a -3 Cell volume: 2821.2 Cell parameters: 14.13; 14.13; 14.13; 90; 90; 90;

COD ID: 1001095
CIF file	Formula: - Ba2 Cr O6 U - Comments: Grenet, J V; Michel, A Etude cristallographique des composes Ba~2~ Fe U O~6~ et Ba~2~ Cr U O~6~ Annales de Chimie (Paris) (Vol=Year) 1971 (1971) 83-88 Space group: P a -3 Cell volume: 572 Cell parameters: 8.301; 8.301; 8.301; 90; 90; 90;

COD ID: 1001133
CIF file	Formula: - Ba2 Fe1.333 O6 U0.667 - Comments: Padel, L; Poix, P; Michel, A Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~ Revue de Chimie Minerale 9 (1972) 337-350 Space group: P a -3 Cell volume: 561.5 Cell parameters: 8.25; 8.25; 8.25; 90; 90; 90;

COD ID: 1001134
CIF file	Formula: - Ba2 Fe0.667 Mg0.5 O6 U0.833 - Comments: Padel, L; Poix, P; Michel, A Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~ Revue de Chimie Minerale 9 (1972) 337-350 Space group: P a -3 Cell volume: 577.6 Cell parameters: 8.328; 8.328; 8.328; 90; 90; 90;

COD ID: 1001320
CIF file	Formula: - As1.5 Cd4 I3 P0.5 - Comments: Rebbah, A; Deschanvres, A Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide Revue de Chimie Minerale 18 (1981) 125-132 Space group: P a -3 Cell volume: 2174.3 Cell parameters: 12.955; 12.955; 12.955; 90; 90; 90;

COD ID: 1001321
CIF file	Formula: - As Cd4 I3 P - Comments: Rebbah, A; Deschanvres, A Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide Revue de Chimie Minerale 18 (1981) 125-132 Space group: P a -3 Cell volume: 2138.7 Cell parameters: 12.884; 12.884; 12.884; 90; 90; 90;

COD ID: 1001322
CIF file	Formula: - As0.5 Cd4 I3 P1.5 - Comments: Rebbah, A; Deschanvres, A Etude comparative des structures des phases Cd~4~ A~2~ I~3~ (A=As, P) et de leur solution solide Revue de Chimie Minerale 18 (1981) 125-132 Space group: P a -3 Cell volume: 2118.4 Cell parameters: 12.843; 12.843; 12.843; 90; 90; 90;

COD ID: 1001323
CIF file	Formula: - As Br3 Cd4 P - Comments: Rebbah, A; Deschanvres, A Structure cristalline de Cd~4~ P As Br~3~ Annales de Chimie (Paris) (Vol=Year) 1981 (1981) 585-590 Space group: P a -3 Cell volume: 1963 Cell parameters: 12.521; 12.521; 12.521; 90; 90; 90;

COD ID: 1001387
CIF file	Formula: - Mo O7 P2 - Comments: Leclaire, A; Borel, M M; Grandin, A; Raveau, B Structure of molybdenum (IV) diphosphate Mo P~2~ O~7~ European Journal of Solid State Inorganic Chemistry 25 (1988) 323-327 Space group: P a -3 Cell volume: 501.3 Cell parameters: 7.944; 7.944; 7.944; 90; 90; 90;

COD ID: 1001415
CIF file	Formula: - As2 Hg4 I3 - Comments: Labbe, P; Ledesert, M; Raveau, B; Rebbah, A Crystal structure of Hg~4~ As~2~ I~3~ Zeitschrift fuer Kristallographie (149,1979-) 187 (1989) 117-123 Space group: P a -3 Cell volume: 2196.5 Cell parameters: 12.999; 12.999; 12.999; 90; 90; 90;

COD ID: 1001624
CIF file	Formula: - As2 Cd4 I3 - Comments: Gallay, J; Allais, G; Deschanvres, A Structure de Cd4 As2 I3 Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2274-2276 Space group: P a -3 Cell volume: 2193.5 Cell parameters: 12.993; 12.993; 12.993; 90; 90; 90;

COD ID: 1005005
CIF file	Formula: - Li7 N4 Nb - Comments: Vennos, D A; DiSalvo, F J Structure of lithium niobium nitride Acta Crystallographica C (39,1983-) 48 (1992) 610-612 Space group: P a -3 Cell volume: 949.6 Cell parameters: 9.829; 9.829; 9.829; 90; 90; 90;

COD ID: 1008245
CIF file	Formula: - F2 Pd - Comments: Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~ Materials Research Bulletin 16 (1981) 207-214 Space group: P a -3 Cell volume: 151.3 Cell parameters: 5.329; 5.329; 5.329; 90; 90; 90;

COD ID: 1008428
CIF file	Formula: - K6 O18 P6 - Comments: Averbuch-Pouchot, M T Crystal chemistry of cyclo-hexaphosphates. I. Structure of anhydrous potassium cyclo-hexaphosphate Acta Crystallographica C (39,1983-) 45 (1989) 1273-1275 Space group: P a -3 Cell volume: 3909.2 Cell parameters: 15.753; 15.753; 15.753; 90; 90; 90;

COD ID: 1008450
CIF file	Formula: - Al6 O18 Sr9 - Comments: Alonso, J A; Rasines, I; Soubeyroux, J L Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite Inorganic Chemistry 29 (1990) 4768-4771 Space group: P a -3 Cell volume: 3980.1 Cell parameters: 15.8476; 15.8476; 15.8476; 90; 90; 90;

COD ID: 1010024
CIF file	Formula: - Br2 H12 O12 Zn - Comments: Yue, S H; Beevers, C A The crystal structure of zinc bromate hexahydrate Zn (Br O~3~)~2~ (H~2~ O)~6~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 426-434 Space group: P a -3 Cell volume: 1097.8 Cell parameters: 10.316; 10.316; 10.316; 90; 90; 90;

COD ID: 1010051
CIF file	Formula: - I4 Si - Comments: Hassel, O; Kringstad, H Bemerkungen ueber den Kristallbau der Tetrahalogenide leichterer Elemente. Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 13 (1931) 1-12 Space group: P a -3 Cell volume: 1722 Cell parameters: 11.986; 11.986; 11.986; 90; 90; 90;

COD ID: 1010059
CIF file	Formula: - N2 O - Comments: de Smedt, J.; Keesom, W. H. The structure of solid nitrous oxide and carbon dioxide Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen 27 (1924) 839-846 Space group: P a -3 Cell volume: 187.1 Cell parameters: 5.72; 5.72; 5.72; 90; 90; 90;

COD ID: 1010060
CIF file	Formula: - C O2 - Comments: de Smedt, J.; Keesom, W. H. The structure of solid nitrous oxide and carbon dioxide Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen 27 (1924) 839-846 Space group: P a -3 Cell volume: 178.5 Cell parameters: 5.63; 5.63; 5.63; 90; 90; 90;

COD ID: 1010061
CIF file	Formula: - Ge I4 - Comments: Jaeger, F M; Terpstra, P; Westenbrink, H G K On the crystal structure of germanium-tetraiodide Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen 28 (1925) 747-766 Space group: P a -3 Cell volume: 1680.9 Cell parameters: 11.89; 11.89; 11.89; 90; 90; 90;

COD ID: 1010071
CIF file	Formula: - O2 - Comments: Keesom, W. H.; Taconis, K. W. On the crystal structure of solid oxygen-γ Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen 39 (1936) 149-149 Space group: P a -3 Cell volume: 318.6 Cell parameters: 6.83; 6.83; 6.83; 90; 90; 90;

COD ID: 1010097
CIF file	Formula: - Mn Se2 - Comments: Elliott, N The Crystal Structure of Manganese Diselenide and Manganese Ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962 Space group: P a -3 Cell volume: 264.2 Cell parameters: 6.417; 6.417; 6.417; 90; 90; 90;

COD ID: 1010154
CIF file	Formula: - F6 Na Sb - Comments: Schrewelius, N Roentgenuntersuchung der Verbindungen Na Sb (O H)~6~, Na Sb F~6~, Na Sb O~3~ und gleichartiger Stoffe Zeitschrift fuer Anorganische und Allgemeine Chemie 238 (1938) 241-254 Space group: P a -3 Cell volume: 547.3 Cell parameters: 8.18; 8.18; 8.18; 90; 90; 90;

COD ID: 1010464
CIF file	Formula: - O7 P2 Zr - Comments: Levi, G R; Peyronel, G Struttura Cristallographica del Gruppo Isomorpho (Si,Ti,Zr,Sn,Hf) P~2~ O~7~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 190-209 Space group: P a -3 Cell volume: 551.4 Cell parameters: 8.2; 8.2; 8.2; 90; 90; 90;

COD ID: 1010489
CIF file	Formula: - C O2 - Comments: Mark, H.; Pohland, E. Das Gitter des festen Kohlendioxyds Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 61 (1924) 293-298 Space group: P a -3 Cell volume: 177.5 Cell parameters: 5.62; 5.62; 5.62; 90; 90; 90;

COD ID: 1010492
CIF file	Formula: - C O2 - Comments: de Smedt, J.; Keesom, W. H. Das Gitter des festen Kohlendioxyds Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 62 (1925) 312-313 Space group: P a -3 Cell volume: 177.5 Cell parameters: 5.62; 5.62; 5.62; 90; 90; 90;

COD ID: 1010496
CIF file	Formula: - C O2 - Comments: Kruener, H Die Kristallstruktur des festen Kohlendioxyds. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 275-283 Space group: P a -3 Cell volume: 178.5 Cell parameters: 5.63; 5.63; 5.63; 90; 90; 90;

COD ID: 1010498
CIF file	Formula: - C O2 - Comments: Mark, H; Pohland, E Zur Kristallstruktur des festen Kohlendioxyds. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63 (1926) 113-114 Space group: P a -3 Cell volume: 177.5 Cell parameters: 5.62; 5.62; 5.62; 90; 90; 90;

COD ID: 1010501
CIF file	Formula: - I4 Sn - Comments: Dickinson, R G Die Symmetrie und der Elementarbereich von Zinntetrajodid. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 64 (1926) 400-404 Space group: P a -3 Cell volume: 1829.3 Cell parameters: 12.23; 12.23; 12.23; 90; 90; 90;

COD ID: 1010502
CIF file	Formula: - O7 P2 U - Comments: Peyronel, G Struttura del Pirofosfato di Uranio: U P~2~ O~7~. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 311-312 Space group: P a -3 Cell volume: 638.3 Cell parameters: 8.61; 8.61; 8.61; 90; 90; 90;

COD ID: 1010528
CIF file	Formula: - Al H28 N O20 S2 - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1822.6 Cell parameters: 12.215; 12.215; 12.215; 90; 90; 90;

COD ID: 1010529
CIF file	Formula: - Cr H24 K O20 S2 - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1802.9 Cell parameters: 12.171; 12.171; 12.171; 90; 90; 90;

COD ID: 1010530
CIF file	Formula: - Al Cs H24 O20 S2 - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1875.9 Cell parameters: 12.333; 12.333; 12.333; 90; 90; 90;

COD ID: 1010531
CIF file	Formula: - Al H24 O20 S2 Tl - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1819 Cell parameters: 12.207; 12.207; 12.207; 90; 90; 90;

COD ID: 1010532
CIF file	Formula: - Fe H28 N O20 S2 - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1857.7 Cell parameters: 12.293; 12.293; 12.293; 90; 90; 90;

COD ID: 1010533
CIF file	Formula: - Al H24 K O20 Se2 - Comments: Lipson, H; Beevers, C A The Crystal Structure of the Alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1884.1 Cell parameters: 12.351; 12.351; 12.351; 90; 90; 90;

COD ID: 1010601
CIF file	Formula: - Cl2 H6 N2 - Comments: Wyckoff, R W G The Crystal Structure of Hydrazine Dihydrochloride American Journal of Science, Serie 5(1,1921-1938) 5 (1923) 15-22 Space group: P a -3 Cell volume: 491.2 Cell parameters: 7.89; 7.89; 7.89; 90; 90; 90;

COD ID: 1010610
CIF file	Formula: - I4 Sn - Comments: Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society 45 (1923) 958-962 Space group: P a -3 Cell volume: 1829.3 Cell parameters: 12.23; 12.23; 12.23; 90; 90; 90;

COD ID: 1010626
CIF file	Formula: - H18 N8 Ni O6 - Comments: Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society 44 (1922) 1260-1266 Space group: P a -3 Cell volume: 1316.5 Cell parameters: 10.96; 10.96; 10.96; 90; 90; 90;

COD ID: 1011068
CIF file	Formula: - Al F6 K2 Na - Comments: Menzer, G Ueber die Kristallstrukturen der Kryolithgruppe Fortschritte der Mineralogie 17 (1932) 61-61 Space group: P a -3 Cell volume: 529.5 Cell parameters: 8.09; 8.09; 8.09; 90; 90; 90;

COD ID: 1011177
CIF file	Formula: - Al H24 K O20 S2 - Comments: Beevers, C A; Lipson, H Crystal structure of the alums Nature (London) 134 (1934) 327-327 Space group: P a -3 Cell volume: 1806.9 Cell parameters: 12.18; 12.18; 12.18; 90; 90; 90;

COD ID: 1011209
CIF file	Formula: - Al H24 K O20 S2 - Comments: Lipson, H; Beevers, C A The crystal structure of the alums Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 148 (1934) 664-680 Space group: P a -3 Cell volume: 1796.7 Cell parameters: 12.157; 12.157; 12.157; 90; 90; 90;

COD ID: 1011237
CIF file	Formula: - Mn S2 - Comments: Offner, F A redetermination of the parameter for Hauerite, Mn S2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 89 (1934) 182-184 Space group: P a -3 Cell volume: 228 Cell parameters: 6.109; 6.109; 6.109; 90; 90; 90;

COD ID: 1011348
CIF file	Formula: - As2 Pd - Comments: Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 4 (1929) 277-287 Space group: P a -3 Cell volume: 214.1 Cell parameters: 5.982; 5.982; 5.982; 90; 90; 90;

COD ID: 1011352
CIF file	Formula: - Mn Te2 - Comments: Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962 Space group: P a -3 Cell volume: 334.7 Cell parameters: 6.943; 6.943; 6.943; 90; 90; 90;

COD ID: 1100901

Formula: - C48 H93 Ge K N3 P3 Si6 -
Comments: Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W. An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study Organometallics 24(9) (2005) 2157-2167
Space group: P a -3
Cell volume: 12956.8
Cell parameters: 23.4873; 23.4873; 23.4873; 90; 90; 90;

COD ID: 1505078

Formula: - C H11 B10 P -
Comments: Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A. The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films. The journal of physical chemistry. B 111(25) (2007) 7009-7016
Space group: P a -3
Cell volume: 924.5
Cell parameters: 9.7418; 9.7418; 9.7418; 90; 90; 90;

COD ID: 1505734

Formula: - C12 H12 Cr -
Comments: Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function. The journal of physical chemistry. A 110(20) (2006) 6545-6551
Space group: P a -3
Cell volume: 876.85
Cell parameters: 9.5714; 9.5714; 9.5714; 90; 90; 90;

COD ID: 1507675
CIF file	Formula: - C71.63 H53.5 Cl1.25 O4.38 - Comments: Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation. Organic letters 14(10) (2012) 2472-2475 Space group: P a -3 Cell volume: 10380.2 Cell parameters: 21.814; 21.814; 21.814; 90; 90; 90;

COD ID: 1507796
CIF file	Formula: - C24 H12 N12 O25 Zn6 - Comments: Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C 116(24) (2012) 13143 Space group: P a -3 Cell volume: 8148.5 Cell parameters: 20.123; 20.123; 20.123; 90; 90; 90;

COD ID: 1509644
CIF file	Formula: - Ag2 B12 Cl12 - Comments: Schleid, T.; Tiritiris, I. The crystal structure of solvent-free silver dodecachloro-closo-dodecaborate Ag2 (B12 Cl12) from aqueous solution Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 581-583 Space group: P a -3 Cell volume: 1898.89 Cell parameters: 12.3832; 12.3832; 12.3832; 90; 90; 90;

COD ID: 1510289
CIF file	Formula: - Au Sb2 - Comments: Westgren, A.; Almin, A.; Nial, O. Roentgenanalyse der Systeme Au-Sb und Ag-Sn Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 14 (1931) 81-90 Space group: P a -3 Cell volume: 295.408 Cell parameters: 6.66; 6.66; 6.66; 90; 90; 90;

COD ID: 1510797
CIF file	Formula: - B2 O4 Sr - Comments: Angel, R.J.; Ross, N.L. Crystal structure of high pressure SrB2O4(IV) Journal of Solid State Chemistry 90 (1991) 27-30 Space group: P a -3 Cell volume: 781.815 Cell parameters: 9.2123; 9.2123; 9.2123; 90; 90; 90;

COD ID: 1510884
CIF file	Formula: - B2 Ca S4 - Comments: Endo, T.; Takeda, T.; Sasaki, T.; Takizawa, H. High-pressure synthesis of a new calcium thioborate, Ca B2 S4 Materials Research Bulletin 38 (2003) 33-39 Space group: P a -3 Cell volume: 1408.69 Cell parameters: 11.21; 11.21; 11.21; 90; 90; 90;

COD ID: 1511041

Formula: - B Cl11.34 I2.66 Sr0.5 Zr6 -
Comments: Koeckerling, M. New boron-centered mixed-halide zirconium cluster phases with a cubic structure: Na Zr6 Cl(12-2x) I(2+x) B(x<=6) and A(II)0.5 Zr6 (Cl, I)14 B (A(II)=Ca, Sr, Ba) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 24-30
Space group: P a -3
Cell volume: 2332.53
Cell parameters: 13.262; 13.262; 13.262; 90; 90; 90;

COD ID: 1513866

Formula: - C45 H51 Cr Fe I N3 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P a -3
Cell volume: 8826.9
Cell parameters: 20.6666; 20.6666; 20.6666; 90; 90; 90;

COD ID: 1513867

Formula: - C45 H51 Co Cr I N3 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P a -3
Cell volume: 8839.95
Cell parameters: 20.6768; 20.6768; 20.6768; 90; 90; 90;

COD ID: 1515631
CIF file	Formula: - C132 H180 Cl12 Co8 N72 O4 - Comments: Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study Chemical Science 2(9) (2011) 1695 Space group: P a -3 Cell volume: 15818.2 Cell parameters: 25.1026; 25.1026; 25.1026; 90; 90; 90;

COD ID: 1517731
CIF file	Formula: - Nb O7 P2.02 - Comments: Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry 119 (1995) 98-106 Space group: P a -3 Cell volume: 528.1 Cell parameters: 8.083; 8.083; 8.083; 90; 90; 90;

COD ID: 1517732
CIF file	Formula: - Nb O7 P1.92 - Comments: Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry 119 (1995) 98-106 Space group: P a -3 Cell volume: 527.65 Cell parameters: 8.0807; 8.0807; 8.0807; 90; 90; 90;

COD ID: 1517733
CIF file	Formula: - Nb O7 P1.81 - Comments: Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry 119 (1995) 98-106 Space group: P a -3 Cell volume: 525.66 Cell parameters: 8.0705; 8.0705; 8.0705; 90; 90; 90;

COD ID: 1517734
CIF file	Formula: - Nb O7 P1.8 - Comments: Fukuoka, H.; Imoto, H.; Saito, T. Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms Journal of Solid State Chemistry 119 (1995) 98-106 Space group: P a -3 Cell volume: 529.4 Cell parameters: 8.0896; 8.0896; 8.0896; 90; 90; 90;

COD ID: 1518352
CIF file	Formula: - C3 H3 Cl Cu N3 S3 - Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1601.9 Cell parameters: 11.70071; 11.70071; 11.70071; 90; 90; 90;

COD ID: 1518353
CIF file	Formula: - C3 H3 Cl Cu N3 S3 - Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1621.05 Cell parameters: 11.74713; 11.74713; 11.74713; 90; 90; 90;

COD ID: 1518354
CIF file	Formula: - C3 H3 Cl Cu N3 S3 - Comments: Tominaka, S.; Hamoudi, H.; Suga, T.; Bennett, T. D.; Cairns, A. B.; Cheetham, A. K. Topochemical conversion of a dense metal‒organic framework from a crystalline insulator to an amorphous semiconductor Chem. Sci. 6(2) (2015) 1465 Space group: P a -3 Cell volume: 1638.2 Cell parameters: 11.78842; 11.78842; 11.78842; 90; 90; 90;

COD ID: 1519925
CIF file	Formula: - C80 H56 Co7 F18 N16 O18 Si - Comments: Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J. Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster Chem. Sci. 6(8) (2015) 4784 Space group: P a -3 Cell volume: 14717.5 Cell parameters: 24.5063; 24.5063; 24.5063; 90; 90; 90;

COD ID: 1520587

Formula: - C31 H45.67 Al N2 O3 -
Comments: Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci. 6(8) (2015) 5034
Space group: P a -3
Cell volume: 18100.5
Cell parameters: 26.2561; 26.2561; 26.2561; 90; 90; 90;

COD ID: 1520986
CIF file	Formula: - Cs3 Mg2 N O17 P6 - Comments: Feldmann, W.; l'Haridon, P.; Marchand, R. Synthesis and crystal structure determination of Cs3 Mg2 P6 O17 N : the first example of a nitrido-oxo-cyclo-hexa phosphate Journal of Solid State Chemistry 153 (2000) 185-191 Space group: P a -3 Cell volume: 1833.32 Cell parameters: 12.239; 12.239; 12.239; 90; 90; 90;

COD ID: 1521355
CIF file	Formula: - Al0.72 Ga1.28 O6 Sr3 - Comments: Kahlenberg, V. Sr3 (Al0.36 Ga0.64)2 O6 - a new strontium aluminium gallate Crystal Research and Technology 35 (2000) 1279-1287 Space group: P a -3 Cell volume: 4110.99 Cell parameters: 16.0195; 16.0195; 16.0195; 90; 90; 90;

COD ID: 1521485
CIF file	Formula: - C60 Rb - Comments: Lappas, A.; Brown, C.M.; Prassides, K.; Kordatos, K.; Tanigaki, K.; Suard, E. Neutron diffraction study of the polymeric structure of Na2 Rb C60 Journal of Physics: Condensed Matter 11 (1999) 371-381 Space group: P a -3 Cell volume: 2753.6 Cell parameters: 14.0163; 14.0163; 14.0163; 90; 90; 90;

COD ID: 1521523
CIF file	Formula: - O7 P2 W - Comments: Lisnyak, V.V.; Stus', N.V.; Belyavina, N.M.; Slobodyanik, N.S.; Markiv, V.Ya. Crystal structure of a novel cubic pyrophosphate W P2 O7 Journal of Alloys Compd. 309 (2000) 83-87 Space group: P a -3 Cell volume: 502.498 Cell parameters: 7.9502; 7.9502; 7.9502; 90; 90; 90;

COD ID: 1522060
CIF file	Formula: - Hf O7 V2 - Comments: Turquat, C.; Muller, C.; Nigrelli, E.; Leroux, C.; Soubeyroux, J.L.; Nihoul, G. Structural investigation of temperature-induced phase transitions in Hf V2 O7 The European Physical Journal Apllied Physics 10 (2000) 15-27 Space group: P a -3 Cell volume: 670.611 Cell parameters: 8.753; 8.753; 8.753; 90; 90; 90;

COD ID: 1524099
CIF file	Formula: - O8.85 Te3 U0.91 - Comments: Brandstaetter, F. Non-stoichiometric, hydrothermally synthesized cliffordite TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 29 (1981) 1-8 Space group: P a -3 Cell volume: 1456.35 Cell parameters: 11.335; 11.335; 11.335; 90; 90; 90;

COD ID: 1524230
CIF file	Formula: - C15 Eu2.819 - Comments: Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P. Crystal chemistry of europium fullerides Solid State Communications 106 (1998) 431-435 Space group: P a -3 Cell volume: 22449.6 Cell parameters: 28.21; 28.21; 28.21; 90; 90; 90;

COD ID: 1525681
CIF file	Formula: - I4 Si - Comments: Biehl, E.; Schubert, U. Reaktionen von Siliciummonoxid mit Muenzmetallhalogeniden Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 131 (2000) 813-818 Space group: P a -3 Cell volume: 1719.37 Cell parameters: 11.98; 11.98; 11.98; 90; 90; 90;

COD ID: 1525835
CIF file	Formula: - Ge O2 - Comments: Lodziana, Z.; Parlinski, K.; Hafner, J. Ab initio studies of high-pressure transformations in Ge O2 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 63 (2001) 1341061-1341067 Space group: P a -3 Cell volume: 85.451 Cell parameters: 4.4046; 4.4046; 4.4046; 90; 90; 90;

COD ID: 1526098
CIF file	Formula: - Cs3 In3 O36 P12 - Comments: Murashova, E.V.; Chudinova, N.N. Condensed cesium indium phosphates Neorganicheskie Materialy 37 (2001) 1521-1524 Space group: P a -3 Cell volume: 3297.97 Cell parameters: 14.885; 14.885; 14.885; 90; 90; 90;

COD ID: 1526102
CIF file	Formula: - Ga2 O6 Sr3 - Comments: Naganuma, J.; Matoba, M. Crystal Structure and Magnetization of Perovskite-related Ga Oxides, Sr~3~(Ga~1-x~Mn~x~)~2~O~6~ Nippon Oyo Jiki Gakkaishi 25 (2001) 719-722 Space group: P a -3 Cell volume: 4169.39 Cell parameters: 16.095; 16.095; 16.095; 90; 90; 90;

COD ID: 1526236

Formula: - F2 Mg -
Comments: Haines, J.; Klug, D.D.; Leger, J.M.; Gorelli, F.; Tse, J.S.; Li, Z.Q. X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64 (2001) 1341101-13411010
Space group: P a -3
Cell volume: 107.952
Cell parameters: 4.7615; 4.7615; 4.7615; 90; 90; 90;

COD ID: 1526496
CIF file	Formula: - Ir Te2 - Comments: Jobic, S.; Pasturel, A.; Brec, R.; Koo, H.-J.; Whangbo Myunghwan Theoretical study of possible iridium ditelluride phases attainable under high pressure Journal of Solid State Chemistry 162 (2001) 63-68 Space group: P a -3 Cell volume: 281.617 Cell parameters: 6.5547; 6.5547; 6.5547; 90; 90; 90;

COD ID: 1526517
CIF file	Formula: - Ga2 O6 Sr3 - Comments: Kahlenberg, V. The crystal structures of the strontium gallates Sr10 Ga6 O19 and Sr3 Ga2 O6 Journal of Solid State Chemistry 160 (2001) 421-429 Space group: P a -3 Cell volume: 4177.09 Cell parameters: 16.1049; 16.1049; 16.1049; 90; 90; 90;

COD ID: 1526521
CIF file	Formula: - Mo1.023 O8 W0.977 Zr - Comments: Kameswari, U.; Sleight, A.W.; Evans, J.S.O. Rapid synthesis of Zr W2 O8 and related phases, and structure refinement of Zr W Mo O8 International Journal of Inorganic Materials 2 (2000) 333-337 Space group: P a -3 Cell volume: 763.552 Cell parameters: 9.14; 9.14; 9.14; 90; 90; 90;

COD ID: 1526711
CIF file	Formula: - Al F6 H18 N6 Ru - Comments: Subramanian, M.A.; Harlow, R.H.; Rao, V.N.M. New (Ru (N H3)6) M F6 phases: precursors to catalysts for halogenation reactions Materials Research Bulletin 35 (2000) 1587-1592 Space group: P a -3 Cell volume: 996.165 Cell parameters: 9.9872; 9.9872; 9.9872; 90; 90; 90;

COD ID: 1527404
CIF file	Formula: - Cu3 O6 W - Comments: Gebert, E.; Kihlborg, L. The crystal structure of a new copper wolfram oxide, Cu3 W O6 Acta Chemica Scandinavica (1-27,1973-42,1988) 23 (1969) 221-231 Space group: P a -3 Cell volume: 940.328 Cell parameters: 9.797; 9.797; 9.797; 90; 90; 90;

COD ID: 1527472
CIF file	Formula: - O7 P2 Zr - Comments: Hagman, L.O.; Kierkegaard, P. Note on the structures of M(IV) P2 O 7 ( M(IV) = Ge, Zr, and U ) Acta Chemica Scandinavica (1-27,1973-42,1988) 23 (1969) 327-328 Space group: P a -3 Cell volume: 560.985 Cell parameters: 8.2474; 8.2474; 8.2474; 90; 90; 90;

COD ID: 1527512
CIF file	Formula: - Ir3 Te8 - Comments: Hockings, E.F.; White, J.G. The system iridium-tellurium Journal of Physical Chemistry 64 (1960) 1042-1045 Space group: P a -3 Cell volume: 263.868 Cell parameters: 6.414; 6.414; 6.414; 90; 90; 90;

COD ID: 1527733

Formula: - Cl6 Co H16 N4 O2 Tl -
Comments: Linhard, M.; Plieth, K.; Manthey, W. Die Kristallstruktur des Diaquo-tetrammin-cobalt(III)-hexachloro-thallats, [Co(NH~3~)~4~(H~2~O)~2~ [TlCl~6~] Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie 57(9) (1953) 862-866
Space group: P a -3
Cell volume: 1442.9
Cell parameters: 11.3; 11.3; 11.3; 90; 90; 90;

COD ID: 1528829
CIF file	Formula: - C82 Ce - Comments: Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S. Structural and electronic characterizations of two isomers of Ce@C82 J. Phys. Chem. B 108 (2004) 7580-7585 Space group: P a -3 Cell volume: 3929.35 Cell parameters: 15.78; 15.78; 15.78; 90; 90; 90;

COD ID: 1529273
CIF file HKL data	Formula: - F7 H12 N3 Sn - Comments: Flerov, Igor; Molokeev, Maxim; Laptash, Natalia; Udovenko, Anatoly; Pogoreltsev, Evgeniy; Melnikova, Svetlana; Misyul, Sergey Structural transformation between two cubic phases of (NH4)3SnF7 Journal of Fluorine Chemistry 179 (2015) 86 Space group: P a -3 Cell volume: 1765.68 Cell parameters: 12.0866; 12.0866; 12.0866; 90; 90; 90;

COD ID: 1530133
CIF file	Formula: - Pb3.96 S9 Sb2.04 Sn - Comments: Kaplunnik, L.N.; Pobedimskaya, E.A.; Belov, N.V. The garnet-like structure of synthetic sulfo salt (Pb0.66 Sb0.34)6 Sn S9 Doklady Akademii Nauk SSSR 237 (1977) 1086-1089 Space group: P a -3 Cell volume: 1540.4 Cell parameters: 11.549; 11.549; 11.549; 90; 90; 90;

COD ID: 1530260
CIF file	Formula: - Cs3 O36 P12 V3 - Comments: Lavrov, A.V.; Vojtenkov, M.J.; Sadikov, G.G.; Nikolaev, V.P. The structure of crystals of dodecacyclophosphate Cs3 V3 P12 O36 Doklady Akademii Nauk SSSR 259 (1981) 103-106 Space group: P a -3 Cell volume: 3075.83 Cell parameters: 14.543; 14.543; 14.543; 90; 90; 90;

COD ID: 1530879
CIF file	Formula: - O7 P2 Si - Comments: Tillmanns, E.; Baur, W.H.; Gebert, W. Computer Simulation of Crystal Structures applied to the Solution of the Superstructure of Cubic Silicon-diphosphate Journal of Solid State Chemistry 7 (1973) 69-84 Space group: P a -3 Cell volume: 417.335 Cell parameters: 7.473; 7.473; 7.473; 90; 90; 90;

COD ID: 1531988
CIF file	Formula: - Br7 Hg6 Sb5 - Comments: Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V. Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br Zhurnal Neorganicheskoi Khimii 46 (2001) 1615-1618 Space group: P a -3 Cell volume: 2185.86 Cell parameters: 12.978; 12.978; 12.978; 90; 90; 90;

COD ID: 1531990
CIF file	Formula: - As1.46 Br7 Hg6 Sb3.54 - Comments: Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V. Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br Zhurnal Neorganicheskoi Khimii 46 (2001) 1615-1618 Space group: P a -3 Cell volume: 2084.89 Cell parameters: 12.775; 12.775; 12.775; 90; 90; 90;

COD ID: 1531992
CIF file	Formula: - As2.206 Br7 Hg6 Sb2.794 - Comments: Olenev, A.V.; Shatruk, M.M.; Shevel'kov, A.V.; Popovkin, B.A. Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br Zhurnal Neorganicheskoi Khimii 46 (2001) 1615-1618 Space group: P a -3 Cell volume: 2050.32 Cell parameters: 12.704; 12.704; 12.704; 90; 90; 90;

COD ID: 1532122
CIF file	Formula: - Al0.95 Cr0.05 H24 K O20 S2 - Comments: Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G. Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O) Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 42 (2001) 753-765 Space group: P a -3 Cell volume: 1800.27 Cell parameters: 12.165; 12.165; 12.165; 90; 90; 90;

COD ID: 1532289
CIF file	Formula: - Ba N2 O6 - Comments: Trounov, V.A.; Tserkovnaya, E.A.; Gurin, V.N.; Korsukova, M.M.; Derkachenko, L.I.; Nikanorov, S.P. Effect of centrifugation on the crystal structure of barium nitrate Pis'ma v Zhurnal Tekhnicheskoi Fiziki 28 (2002) 89-94 Space group: P a -3 Cell volume: 533.453 Cell parameters: 8.11021; 8.11021; 8.11021; 90; 90; 90;

COD ID: 1534161
CIF file	Formula: - Br6 H12 Mg O6 Te - Comments: Angoso, A.; Onken, H.; Hahn, H. Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV) Zeitschrift fuer Anorganische und Allgemeine Chemie 328 (1964) 223-230 Space group: P a -3 Cell volume: 1697.94 Cell parameters: 11.93; 11.93; 11.93; 90; 90; 90;

COD ID: 1534162
CIF file	Formula: - H12 I6 Mg O6 Te - Comments: Angoso, A.; Hahn, H.; Onken, H. Zur Struktur der Magnesiumhexaquo-hexahalogenotellurate(IV) Zeitschrift fuer Anorganische und Allgemeine Chemie 328 (1964) 223-230 Space group: P a -3 Cell volume: 1986.12 Cell parameters: 12.57; 12.57; 12.57; 90; 90; 90;

COD ID: 1534281
CIF file	Formula: - F6 K P - Comments: Bode, H.; Clausen, H. Die Kristallstruktur des Kalium-, Ammonium- und Caesiumhexafluorophosphats Zeitschrift fuer Anorganische und Allgemeine Chemie 265 (1951) 228-243 Space group: P a -3 Cell volume: 458.314 Cell parameters: 7.71; 7.71; 7.71; 90; 90; 90;

COD ID: 1534495
CIF file	Formula: - Bi Br7 F4 H26 N6 - Comments: Gerasimenko, A. V.; Bukvetskii, B. V.; Davidovich, R. L.; Udovenko, A. A. Crystal structure of threefold salt (NH4)3BiBr6NH4Br 2NH4HF2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 17 (1991) 322-324 Space group: P a -3 Cell volume: 2252.73 Cell parameters: 13.109; 13.109; 13.109; 90; 90; 90;

COD ID: 1534753
CIF file	Formula: - Cr H24 K O20 S2 - Comments: Bacon, G.E.; Gardner, W.E. The structure of chromium potassium alum Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 246 (1958) 79-90 Space group: P a -3 Cell volume: 1815.85 Cell parameters: 12.2; 12.2; 12.2; 90; 90; 90;

COD ID: 1535318
CIF file	Formula: - As Pt0.4 Rh0.3 Ru0.3 S - Comments: Szymanski, J.T. The crystal structure of platarsite, Pt (As, S)2, and a comparison with sperrylite, Pt As2 Canadian Mineralogist 17 (1979) 117-123 Space group: P a -3 Cell volume: 193.903 Cell parameters: 5.788; 5.788; 5.788; 90; 90; 90;

COD ID: 1535454

Formula: - Mn N2 O6 -
Comments: Tikhomirov, G.A.; Kemnitz, E.; Znamenkov, K.O.; Morozov, I.V.; Troyanov, S.I. Anhydrous nitrates and nitrosonium nitratometallates of manganese and cobalt, M (N O3)2, N O (Mn (N O3)3), and (N O)2 (Co (N O3)4): synthesis and crystal structure Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 269-273
Space group: P a -3
Cell volume: 426.448
Cell parameters: 7.527; 7.527; 7.527; 90; 90; 90;

COD ID: 1535632
CIF file	Formula: - Br4 Ti - Comments: Troyanov, S.I.; Rybakov, V.B.; Ionov, V.M. Synthesis and crystal structures of Ti Br4,Ti Br3 and Ti (Al Br4)2 Zhurnal Neorganicheskoi Khimii 35 (1990) 882-887 Space group: P a -3 Cell volume: 1426.87 Cell parameters: 11.258; 11.258; 11.258; 90; 90; 90;

COD ID: 1535649
CIF file	Formula: - C3 Ga - Comments: Bukovec, P. Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 114 (1983) 277-279 Space group: P a -3 Cell volume: 2782.4 Cell parameters: 14.065; 14.065; 14.065; 90; 90; 90;

COD ID: 1535652
CIF file	Formula: - F4 Hg Pd - Comments: Mueller, B.G. Zur Struktur von Ca Pd F4, Cd Pd F4, Hg Pd F4 und HP-Pd F2 Journal of Fluorine Chemistry 20 (1982) 291-299 Space group: P a -3 Cell volume: 160.103 Cell parameters: 5.43; 5.43; 5.43; 90; 90; 90;

COD ID: 1535653
CIF file	Formula: - C3 In - Comments: Bukovec, P. Untersuchungen von Fluorometallaten(III), 11. Mitt.: Synthese und Kristallstruktur von Guanidinium Hexafluoroaluminat, -gallat und -indat Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 114 (1983) 277-279 Space group: P a -3 Cell volume: 2948.81 Cell parameters: 14.34; 14.34; 14.34; 90; 90; 90;

COD ID: 1535843
CIF file	Formula: - As2 Si - Comments: Donohue, P.C.; Siemons, W.J.; Gillson, J.L. Preparation and Properties of Pyrite - Type Si P2 and Si As2 Journal of Physics and Chemistry of Solids 29 (1968) 807-813 Space group: P a -3 Cell volume: 218.515 Cell parameters: 6.0232; 6.0232; 6.0232; 90; 90; 90;

COD ID: 1536262

Formula: - C10 I30 Sc24 -
Comments: Jongen, L.; Mudring, A.V.; Meyer, G. The molecular solid Sc24 C10 I30: a truncated, hollow T4 supertetrahedron of iodine filled with a T3 supertetrahedron of scandium that encapsulates the adamantoid cluster Sc4 C10 Angew. Chem. Int. ed. 45 (2006) 1886-1889
Space group: P a -3
Cell volume: 16803.8
Cell parameters: 25.6135; 25.6135; 25.6135; 90; 90; 90;

COD ID: 1536301

Formula: - As4 Cl7 Hg6 In -
Comments: Olenev, A.V.; Tyablikov, A.S.; Shatruk, M.M.; Baranov, A.I.; Shevel'kov, A.V. Synthesis and the crystal structure of (Hg As4) (In Cl6) Cl: influence of covalent and electrostatic factors on the supramolecular structure Izvestiya Akad. Nauk, Seriya Khimicheskaya 51 (2002) 414-418
Space group: P a -3
Cell volume: 1775.52
Cell parameters: 12.109; 12.109; 12.109; 90; 90; 90;

COD ID: 1536422
CIF file	Formula: - Ba N4 P2 - Comments: Karau, F.W.; Schnick, W. High-pressure synthesis, x-ray powder structure determination, and solid-state NMR investigation of Ba P2 N4 Zeitschrift fuer Anorganische und Allgemeine Chemie 632 (2006) 231-237 Space group: P a -3 Cell volume: 1070.57 Cell parameters: 10.22992; 10.22992; 10.22992; 90; 90; 90;

COD ID: 1536517
CIF file	Formula: - Ca13 Cd76 - Comments: Pay Gomez, C.; Lidin, S. Structure of Ca13Cd76; a novel approximant to the YbCd5.7 and Ca15Cd85 quasicrystals. Angewandte Chemie (Edition international) 40 (2001) 4037-4039 Space group: P a -3 Cell volume: 16270.2 Cell parameters: 25.3395; 25.3395; 25.3395; 90; 90; 90;

COD ID: 1536820
CIF file	Formula: - Ce16 N32 O6 Si15 - Comments: Koellisch, K.; Schnick, W. Ce16 Si15 O6 N32 - An oxonitridosilicate with silicon octahedrally coordinated by nitrogen Angew. Chem. Int. ed. 38 (1999) 357-358 Space group: P a -3 Cell volume: 3654.83 Cell parameters: 15.4036; 15.4036; 15.4036; 90; 90; 90;

COD ID: 1537237

Formula: - H22 Mn2 Mo6 N2 O31 Te -
Comments: Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Zhang Chundan; Cheng Haiyan; Sun Chunyan Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations Journal of Solid State Chemistry 179 (2006) 1681-1689
Space group: P a -3
Cell volume: 2831.77
Cell parameters: 14.1477; 14.1477; 14.1477; 90; 90; 90;

COD ID: 1537240

Formula: - Co2 H22 Mo6 N2 O31 Te -
Comments: Gao Bo; Liu Shuxia; Cheng Haiyan; Zhang Chundan; Xie Linhua; Sun Chunyan; Yu Miao Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations Journal of Solid State Chemistry 179 (2006) 1681-1689
Space group: P a -3
Cell volume: 2774.27
Cell parameters: 14.0513; 14.0513; 14.0513; 90; 90; 90;

COD ID: 1537243

Formula: - H22 Mo6 N2 Ni2 O31 Te -
Comments: Gao Bo; Liu Shuxia; Xie Linhua; Sun Chunyan; Zhang Chundan; Yu Miao; Cheng Haiyan Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations Journal of Solid State Chemistry 179 (2006) 1681-1689
Space group: P a -3
Cell volume: 2728.92
Cell parameters: 13.9743; 13.9743; 13.9743; 90; 90; 90;

COD ID: 1537245

Formula: - Cu2 H22 Mo6 N2 O31 Te -
Comments: Gao Bo; Liu Shuxia; Cheng Haiyan; Yu Miao; Zhang Chundan; Sun Chunyan; Xie Linhua Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations Journal of Solid State Chemistry 179 (2006) 1681-1689
Space group: P a -3
Cell volume: 2749.12
Cell parameters: 14.0087; 14.0087; 14.0087; 90; 90; 90;

COD ID: 1537248

Formula: - H22 Mo6 N2 O31 Te Zn2 -
Comments: Gao Bo; Liu Shuxia; Xie Linhua; Yu Miao; Sun Chunyan; Zhang Chundan; Cheng Haiyan Hydrothermal assembly of (3,6)-connected networks with classical mineral structures constructed from Anderson-type heteropolymolybdate and metal cations Journal of Solid State Chemistry 179 (2006) 1681-1689
Space group: P a -3
Cell volume: 2768.12
Cell parameters: 14.0409; 14.0409; 14.0409; 90; 90; 90;

COD ID: 1537617
CIF file	Formula: - Ni Se2 - Comments: Adachi, K.; Takeda, M.; Sato, K. Magnetic properties of cobalt and nickel dichalcogenide compounds with pyrite structure Journal of the Physical Society of Japan 26 (1969) 631-638 Space group: P a -3 Cell volume: 211.815 Cell parameters: 5.961; 5.961; 5.961; 90; 90; 90;

COD ID: 1538443
CIF file	Formula: - As Co S - Comments: Onorato, E. Roentgenographische Untersuchungen ueber den Kobaltglanz Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 91 (1957) 41-51 Space group: P a -3 Cell volume: 174.677 Cell parameters: 5.59; 5.59; 5.59; 90; 90; 90;

COD ID: 1538551
CIF file	Formula: - D2 S - Comments: Sandor, E.; Ogunade, S.O. Structure and phase transition in solid hydrogen and deuterium sulphides Nature (London) 224 (1969) 905-907 Space group: P a -3 Cell volume: 189.02 Cell parameters: 5.739; 5.739; 5.739; 90; 90; 90;

COD ID: 1538722
CIF file	Formula: - Rh Se2 - Comments: Kjekshus, A.; Rakke, T.; Andresen, A.F. Pyrite like phases in the Rh-Se System Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 719-725 Space group: P a -3 Cell volume: 214.062 Cell parameters: 5.982; 5.982; 5.982; 90; 90; 90;

COD ID: 1538838
CIF file	Formula: - Os S2 - Comments: Meisel, K. Ueber die Gitterkonstante des Os S2 Zeitschrift fuer Anorganische und Allgemeine Chemie 219 (1934) 141-141 Space group: P a -3 Cell volume: 177.391 Cell parameters: 5.6188; 5.6188; 5.6188; 90; 90; 90;

COD ID: 1539184
CIF file	Formula: - Os Te2 - Comments: Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 2 (1929) 349-379 Space group: P a -3 Cell volume: 258.353 Cell parameters: 6.369; 6.369; 6.369; 90; 90; 90;

COD ID: 1539188
CIF file	Formula: - P2 Pt - Comments: Thomassen, L. Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 4 (1929) 277-287 Space group: P a -3 Cell volume: 184.609 Cell parameters: 5.694; 5.694; 5.694; 90; 90; 90;

COD ID: 1539194
CIF file	Formula: - Pt Sb2 - Comments: Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 2 (1929) 349-379 Space group: P a -3 Cell volume: 267.214 Cell parameters: 6.441; 6.441; 6.441; 90; 90; 90;

COD ID: 1539204
CIF file	Formula: - Rh S2 - Comments: Thomassen, L. Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 4 (1929) 277-287 Space group: P a -3 Cell volume: 174.209 Cell parameters: 5.585; 5.585; 5.585; 90; 90; 90;

COD ID: 1539207
CIF file	Formula: - Ru Se2 - Comments: Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 2 (1929) 349-379 Space group: P a -3 Cell volume: 207.58 Cell parameters: 5.921; 5.921; 5.921; 90; 90; 90;

COD ID: 1539209
CIF file	Formula: - Ru Te2 - Comments: Thomassen, L. Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 2 (1929) 349-379 Space group: P a -3 Cell volume: 257.259 Cell parameters: 6.36; 6.36; 6.36; 90; 90; 90;

COD ID: 1539433
CIF file	Formula: - Cd H0.24 O2 - Comments: Vannerberg, N.G. On the formation and structure of cadmium peroxides Arkiv foer Kemi 10 (1956) 455-459 Space group: P a -3 Cell volume: 146.613 Cell parameters: 5.273; 5.273; 5.273; 90; 90; 90;

COD ID: 1540048
CIF file	Formula: - O2 Ru - Comments: Haines, J.; Leger, J.M.; Schmidt, M.W.; da Jornada, J.A.H.; Petitet, J.P.; Pereira, A.S.; Hull, S. Structural characterisation of the Pa3- -type, high pressure phase of ruthenium dioxide Journal of Physics and Chemistry of Solids 59 (1998) 239-243 Space group: P a -3 Cell volume: 114.715 Cell parameters: 4.85892; 4.85892; 4.85892; 90; 90; 90;

COD ID: 1540880
CIF file	Formula: - Cl12 I2 Nb6 - Comments: Saegebarth, M.E.; Simon, A. Nb6 Cl12-x I2+x (x < 2) - ein neues Niobhalogenid Zeitschrift fuer Anorganische und Allgemeine Chemie 587 (1990) 119-128 Space group: P a -3 Cell volume: 1989.92 Cell parameters: 12.578; 12.578; 12.578; 90; 90; 90;

COD ID: 1540881
CIF file	Formula: - Cl10.8 I3.2 Nb6 - Comments: Saegebarth, M.E.; Simon, A. Nb6 Cl12-x I2+x (x < 2) - ein neues Niobhalogenid Zeitschrift fuer Anorganische und Allgemeine Chemie 587 (1990) 119-128 Space group: P a -3 Cell volume: 2058.08 Cell parameters: 12.72; 12.72; 12.72; 90; 90; 90;

COD ID: 1541045
CIF file	Formula: - O7 P2 Si - Comments: Tillmanns, E.; Baur, W.H.; Gebert, W. Computer simulation of crystal structures applied to the solution of the superstructure of cubic silicondiphosphate Journal of Solid State Chemistry 7 (1973) 69-84 Space group: P a -3 Cell volume: 11266.5 Cell parameters: 22.418; 22.418; 22.418; 90; 90; 90;

COD ID: 1541664
CIF file	Formula: - C78 H24 F48 - Comments: Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N. Two isomers of C60 F48: an indented fullerene Angew. Chem. Int. ed. 40 (2001) 2285-2287 Space group: P a -3 Cell volume: 12534.1 Cell parameters: 23.229; 23.229; 23.229; 90; 90; 90;

COD ID: 1541812
CIF file	Formula: - Ba8 Fe4.8 In0.532 O24 U2.668 - Comments: Berthon, J.; Poix, P.; Grenet, J.C. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris) 4 (1979) 609-621 Space group: P a -3 Cell volume: 568.693 Cell parameters: 8.285; 8.285; 8.285; 90; 90; 90;

COD ID: 1541813
CIF file	Formula: - Ba8 Fe4.268 In1.064 O24 U2.668 - Comments: Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris) 4 (1979) 609-621 Space group: P a -3 Cell volume: 573.235 Cell parameters: 8.307; 8.307; 8.307; 90; 90; 90;

COD ID: 1541949
CIF file	Formula: - Ba8 Fe5.064 In0.268 O24 U2.668 - Comments: Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris) 4 (1979) 609-621 Space group: P a -3 Cell volume: 565.404 Cell parameters: 8.269; 8.269; 8.269; 90; 90; 90;

COD ID: 1541950
CIF file	Formula: - Ba8 Fe4 In1.332 O24 U2.668 - Comments: Berthon, J.; Grenet, J.C.; Poix, P. Proprietes structurales des solutions solides Ba3 Fe2-x Mx U O9 ou M est un element trivalent Annales de Chimie (Paris) 4 (1979) 609-621 Space group: P a -3 Cell volume: 575.723 Cell parameters: 8.319; 8.319; 8.319; 90; 90; 90;

COD ID: 1541987
CIF file	Formula: - O7 P2 Sn - Comments: Huang, C.H.; Knop, O.; Othen, D.A.; Woodhams, F.W.D.; Howie, R.A. Pyrophosphates of tetravalent elements and a Moessbauer study of Sn P2 O7 Canadian Journal of Chemistry 53 (1975) 79-91 Space group: P a -3 Cell volume: 561.516 Cell parameters: 8.25; 8.25; 8.25; 90; 90; 90;

COD ID: 1542017
CIF file	Formula: - P2 Si - Comments: Osugi, J.; Namikawa, R.; Tanaka, Y. Chemical reaction at high temperature and high pressure III. Reaction of silicon and phosphorus at high temperature and high pressure Reviews of Physical Chemistry of Japan 36 (1966) 35-43 Space group: P a -3 Cell volume: 183.444 Cell parameters: 5.682; 5.682; 5.682; 90; 90; 90;

COD ID: 1542110
CIF file	Formula: - F6 P Tl - Comments: Bode, H.; Teufer, G. Die Kristallstruktur des Thalliumhexafluorophosphates Zeitschrift fuer Anorganische und Allgemeine Chemie 268 (1952) 129-132 Space group: P a -3 Cell volume: 500.566 Cell parameters: 7.94; 7.94; 7.94; 90; 90; 90;

COD ID: 1542186
CIF file	Formula: - N2 Ni O6 - Comments: Weigel, D.; Imelik, B.; Laffitte, P. Etude des structures des nitrates de nickel Bulletin de la Societe Chimique de France (Vol=Year) 1962 (1962) 544-549 Space group: P a -3 Cell volume: 390.618 Cell parameters: 7.31; 7.31; 7.31; 90; 90; 90;

COD ID: 1542235
CIF file	Formula: - D - Comments: Mucker, K.F.; White, D.; Talhouk, S.; Harris, P.M. Crystal Structure of Para-enriched Solid Deuterium Below the lambda Transition Physical Review Letters 16 (1966) 799-801 Space group: P a -3 Cell volume: 131.406 Cell parameters: 5.084; 5.084; 5.084; 90; 90; 90;

COD ID: 1542527

Formula: - C72 H45 Ir N3 -
Comments: Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis Polym. Chem. 7(12) (2016) 2299
Space group: P a -3
Cell volume: 11891
Cell parameters: 22.825; 22.825; 22.825; 90; 90; 90;

COD ID: 1543033

Formula: - C69 H45 Ir N6 -
Comments: Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis Polym. Chem. 7(12) (2016) 2299
Space group: P a -3
Cell volume: 11891
Cell parameters: 22.825; 22.825; 22.825; 90; 90; 90;

COD ID: 1544738
CIF file	Formula: - Ni S2 - Comments: Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 1 atm Mineralogical Journal 13 (1987) 448-454 Space group: P a -3 Cell volume: 183.69 Cell parameters: 5.6845; 5.6845; 5.6845; 90; 90; 90;

COD ID: 1544739
CIF file	Formula: - Ni S2 - Comments: Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 32 kbar Mineralogical Journal 13 (1987) 448-454 Space group: P a -3 Cell volume: 177.47 Cell parameters: 5.6196; 5.6196; 5.6196; 90; 90; 90;

COD ID: 1544740
CIF file	Formula: - Ni S2 - Comments: Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 49 kbar Mineralogical Journal 13 (1987) 448-454 Space group: P a -3 Cell volume: 174.23 Cell parameters: 5.5852; 5.5852; 5.5852; 90; 90; 90;

COD ID: 1544741
CIF file	Formula: - Ni S2 - Comments: Fujii, T.; Tanaka, K.; Marumo, F.; Noda, Y. Structural behaviour of NiS2 up to 54 kbar :Sample at 54 kbar Mineralogical Journal 13 (1987) 448-454 Space group: P a -3 Cell volume: 173.23 Cell parameters: 5.5745; 5.5745; 5.5745; 90; 90; 90;

COD ID: 1544891
CIF file	Formula: - Fe S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 158.956 Cell parameters: 5.417; 5.417; 5.417; 90; 90; 90;

COD ID: 1544892
CIF file	Formula: - Fe S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 155.94 Cell parameters: 5.3825; 5.3825; 5.3825; 90; 90; 90;

COD ID: 1544893
CIF file	Formula: - Fe S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 154.87 Cell parameters: 5.3702; 5.3702; 5.3702; 90; 90; 90;

COD ID: 1544894
CIF file	Formula: - Co S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 169.55 Cell parameters: 5.5348; 5.5348; 5.5348; 90; 90; 90;

COD ID: 1544895
CIF file	Formula: - Co S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 166.993 Cell parameters: 5.5068; 5.5068; 5.5068; 90; 90; 90;

COD ID: 1544896
CIF file	Formula: - Co S2 - Comments: Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y. High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa Mineralogical Journal 13 (1986) 202-211 Space group: P a -3 Cell volume: 164.56 Cell parameters: 5.4799; 5.4799; 5.4799; 90; 90; 90;

COD ID: 1545312
CIF file	Formula: - C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 - Comments: Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R. Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes Faraday Discuss. (2017) Space group: P a -3 Cell volume: 18141.3 Cell parameters: 26.2758; 26.2758; 26.2758; 90; 90; 90;

COD ID: 1548093

Formula: - C52.5 H116.5 N5 O6 Rb Si3 U -
Comments: David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications 7 (2016) 13773
Space group: P a -3
Cell volume: 13411
Cell parameters: 23.7586; 23.7586; 23.7586; 90; 90; 90;

COD ID: 1548786

Formula: - C12 H20 Cd Cu2 N8 -
Comments: Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]] IUCrData 2(12) (2017) x171771
Space group: P a -3
Cell volume: 1896.3
Cell parameters: 12.3775; 12.3775; 12.3775; 90; 90; 90;

COD ID: 1556853

Formula: - C174 H186 Ag6 Cl6 N6 O30 S12 -
Comments: Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS2-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst 145(5) (2020) 1667-1676
Space group: P a -3
Cell volume: 17246.7
Cell parameters: 25.8366; 25.8366; 25.8366; 90; 90; 90;

COD ID: 1557532

Formula: - C30 Al2 F55 Mo O12 -
Comments: Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science 11(14) (2020) 3592-3603
Space group: P a -3
Cell volume: 5164.3
Cell parameters: 17.285; 17.285; 17.285; 90; 90; 90;

COD ID: 1557534

Formula: - C30 Al2 F55 O12 W -
Comments: Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science 11(14) (2020) 3592-3603
Space group: P a -3
Cell volume: 5192.82
Cell parameters: 17.3168; 17.3168; 17.3168; 90; 90; 90;

COD ID: 1557626
CIF file	Formula: - C21 H9 N3 O6 Ti - Comments: Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science 11(15) (2020) 3978-3985 Space group: P a -3 Cell volume: 9254.8 Cell parameters: 20.9953; 20.9953; 20.9953; 90; 90; 90;

COD ID: 1557627
CIF file	Formula: - C3.5 H1.5 N0.5 O Ti0.17 - Comments: Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science 11(15) (2020) 3978-3985 Space group: P a -3 Cell volume: 9423.6 Cell parameters: 21.1222; 21.1222; 21.1222; 90; 90; 90;

COD ID: 1557628
CIF file	Formula: - C H N O Ti - Comments: Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science 11(15) (2020) 3978-3985 Space group: P a -3 Cell volume: 9421.3 Cell parameters: 21.1205; 21.1205; 21.1205; 90; 90; 90;

COD ID: 1561522

Formula: - Ge In K S4 -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2215.61
Cell parameters: 13.0366; 13.0366; 13.0366; 90; 90; 90;

COD ID: 1561523

Formula: - Ge In Rb S4 -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2292.9
Cell parameters: 13.1865; 13.1865; 13.1865; 90; 90; 90;

COD ID: 1561524

Formula: - Cs Ge In S4 -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2397.07
Cell parameters: 13.3832; 13.3832; 13.3832; 90; 90; 90;

COD ID: 1561525

Formula: - Ge In S4 Tl -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2195.5
Cell parameters: 12.997; 12.997; 12.997; 90; 90; 90;

COD ID: 1561532

Formula: - In Rb S4 Sn -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2445.59
Cell parameters: 13.4729; 13.4729; 13.4729; 90; 90; 90;

COD ID: 1561533

Formula: - Cs In S4 Sn -
Comments: Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry 238 (2016) 291-302
Space group: P a -3
Cell volume: 2560.56
Cell parameters: 13.6808; 13.6808; 13.6808; 90; 90; 90;

COD ID: 1564890
CIF file	Formula: - Fe S2 - Comments: Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O. Synthetic control over polymorph formation in the d-band semiconductor system FeS2 Chemical Science (2021) Space group: P a -3 Cell volume: 158.364 Cell parameters: 5.41027; 5.41027; 5.41027; 90; 90; 90;

COD ID: 1565353
CIF file	Formula: - C18 H51 Na5 O39.5 Ti - Comments: Engelberg, Nathan; Bino, Avi; Tshuva, Edit Y. Preparation, structural characterization and cytotoxicity of hydrolytically stable Ti(IV) citrate complexes Inorganica Chimica Acta 503 (2020) 119429 Space group: P a -3 Cell volume: 8584.9 Cell parameters: 20.476; 20.476; 20.476; 90; 90; 90;

COD ID: 1568752

Formula: - C324 H228 Ag16 As8 O26 -
Comments: Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance. Nanoscale 15(18) (2023) 8245-8254
Space group: P a -3
Cell volume: 29961.7
Cell parameters: 31.0591; 31.0591; 31.0591; 90; 90; 90;

COD ID: 1568753

Formula: - C324 H228 Ag16 O26 P8 -
Comments: Wang, Hao-Hai; Wei, Jianyu; Bigdeli, Fahime; Rouhani, Farzaneh; Su, Hai-Feng; Wang, Ling-Xiao; Kahlal, Samia; Halet, Jean-François; Saillard, Jean-Yves; Morsali, Ali; Liu, Kuan-Guan Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance. Nanoscale 15(18) (2023) 8245-8254
Space group: P a -3
Cell volume: 29252.6
Cell parameters: 30.8121; 30.8121; 30.8121; 90; 90; 90;

COD ID: 1571734

Formula: - C40 H60 Os4 U -
Comments: Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes. Chemical science 15(25) (2024) 9784-9792
Space group: P a -3
Cell volume: 9793.5
Cell parameters: 21.395; 21.395; 21.395; 90; 90; 90;

COD ID: 1573037

Formula: - C67 H99 F12 N29 O14 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: P a -3
Cell volume: 49694
Cell parameters: 36.765; 36.765; 36.765; 90; 90; 90;

COD ID: 1573038

Formula: - C67 H98 F12 N29 O14.5 P2 -
Comments: Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal. Chemical science 16(1) (2024) 83-89
Space group: P a -3
Cell volume: 49810.5
Cell parameters: 36.79372; 36.79372; 36.79372; 90; 90; 90;

COD ID: 1573736

Formula: - C124 H178.5 Cu6 N18.5 O10.5 S4 -
Comments: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations. Chemical science 16(6) (2025) 2600-2608
Space group: P a -3
Cell volume: 29609.7
Cell parameters: 30.937; 30.937; 30.937; 90; 90; 90;

COD ID: 2000204
CIF file Original IUCr paper	Formula: - Br2 Cu H12 O12 - Comments: Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquacopper(II) bromate Acta Crystallographica Section C 47(10) (1991) 2019-2023 Space group: P a -3 Cell volume: 1100.38 Cell parameters: 10.324; 10.324; 10.324; 90; 90; 90;

COD ID: 2000244
CIF file Original IUCr paper	Formula: - Br2 H12 Ni O12 - Comments: Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. Structure of hexaaquanickel(II) bromate Acta Crystallographica Section C 47(9) (1991) 1786-1789 Space group: P a -3 Cell volume: 1092.31 Cell parameters: 10.2987; 10.2987; 10.2987; 90; 90; 90;

COD ID: 2000675
CIF file Original IUCr paper	Formula: - C7 H11 Cl N Nd O12 - Comments: Starynowicz, P. Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate Acta Crystallographica Section C 48(8) (1992) 1428-1430 Space group: P a -3 Cell volume: 8533 Cell parameters: 20.435; 20.435; 20.435; 90; 90; 90;

COD ID: 2000944
CIF file Original IUCr paper	Formula: - Li7 N4 Nb - Comments: Vennos, D. A.; DiSalvo, F. J. Structure of lithium niobium nitride Acta Crystallographica Section C 48(4) (1992) 610-612 Space group: P a -3 Cell volume: 949.6 Cell parameters: 9.829; 9.829; 9.829; 90; 90; 90;

COD ID: 2000991

Formula: - Al2 O6 Sr3 -
Comments: Chakoumakos, B. C.; Lager, G. A.; Fernandez-Baca, J. A. Refinement of the structures of Sr~3~Al~2~O~6~ and the hydrogarnet Sr~3~Al~2~(O~4~D~4~)~3~ by Rietveld analysis of neutron powder diffraction data Acta Crystallographica Section C 48(3) (1992) 414-419
Space group: P a -3
Cell volume: 3986.1
Cell parameters: 15.8556; 15.8556; 15.8556; 90; 90; 90;

COD ID: 2001527
CIF file Original IUCr paper	Formula: - C3 H12 F6 Ga N9 - Comments: Małuszyńska, H. Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~ Acta Crystallographica Section C 49(7) (1993) 1335-1336 Space group: P a -3 Cell volume: 2787.1 Cell parameters: 14.073; 14.073; 14.073; 90; 90; 90;

COD ID: 2001612
CIF file Original IUCr paper	Formula: - C36 H15 Au O18 P Rh3 Ru3 - Comments: Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J. Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II) Acta Crystallographica Section C 49(6) (1993) 1142-1146 Space group: P a -3 Cell volume: 8802 Cell parameters: 20.647; 20.647; 20.647; 90; 90; 90;

COD ID: 2002275
CIF file	Formula: - Al8 O21 Pb9 - Comments: Ploetz, K B; Mueller-Buschbaum, Hk Zur Kenntnis von Pb9 Al8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 480 (1981) 149-152 Space group: P a -3 Cell volume: 2331.5 Cell parameters: 13.26; 13.26; 13.26; 90; 90; 90;

COD ID: 2002290
CIF file	Formula: - Al8 O21 Pb8.6 Sr0.4 - Comments: Ploetz, K B; Mueller-Buschbaum, Hk Zur Kristallchemie der Oxoplumbate(II),IV Einbau von Sr(II) in Pb9 Al8 O21 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 37 (1982) 108-109 Space group: P a -3 Cell volume: 2333.1 Cell parameters: 13.263; 13.263; 13.263; 90; 90; 90;

COD ID: 2002293
CIF file	Formula: - Ga8 O21 Pb9 - Comments: Ploetz, K B; Mueller-Buschbaum, Hk Zur Kristallchemie der Oxoplumbate(II). II. Synthese und Aufbau von Pb9 Ga8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 484 (1982) 153-157 Space group: P a -3 Cell volume: 2427.7 Cell parameters: 13.44; 13.44; 13.44; 90; 90; 90;

COD ID: 2002559
CIF file	Formula: - Al1.5 O5 Sc0.5 Sr2 - Comments: Rath, M; Mueller-Buschbaum, Hk Ein Beitrag zur Kristallstruktur von Ba2 Sc Al O5 und Sr2 Sc0.5 Al1.5 O5 Journal of Alloys Compd. 189 (1992) 127-130 Space group: P a -3 Cell volume: 494.5 Cell parameters: 7.9078; 7.9078; 7.9078; 90; 90; 90;

COD ID: 2002983
CIF file Original IUCr paper	Formula: - O7 V2 Zr - Comments: Evans, J.S.O.; Hanson, J.C.; Sleight, A.W. Room-Temperature Superstructure of ZrV~2~O~7~ Acta Crystallographica Section B 54(6) (1998) 705-713 Space group: P a -3 Cell volume: 18183.1 Cell parameters: 26.296; 26.296; 26.296; 90; 90; 90;

COD ID: 2003376
CIF file Original IUCr paper	Formula: - C18 H24 B2 F8 Ru - Comments: Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S. The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K Acta Crystallographica Section C 51(4) (1995) 582-584 Space group: P a -3 Cell volume: 2017.6 Cell parameters: 12.636; 12.636; 12.636; 90; 90; 90;

COD ID: 2004351
CIF file Original IUCr paper	Formula: - C14 H37 Co P4 - Comments: Stringer, G.; Taylor, N. J.; Marder, T. B. Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~] Acta Crystallographica Section C 52(1) (1996) 80-82 Space group: P a -3 Cell volume: 4264.1 Cell parameters: 16.216; 16.216; 16.216; 90; 90; 90;

COD ID: 2006315
CIF file Original IUCr paper	Formula: - Be4 N6 O19 - Comments: Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium Acta Crystallographica Section C 53(7) (1997) 829-830 Space group: P a -3 Cell volume: 2758.7 Cell parameters: 14.025; 14.025; 14.025; 90; 90; 90;

COD ID: 2007414
CIF file	Formula: - C O2 - Comments: Downs, R. T.; Somayazulu, M. S. Carbon dioxide at 1.0 GPa Acta Crystallographica, Section C: Crystal Structure Communications 54(7) (1998) 897-898 Space group: P a -3 Cell volume: 165.85 Cell parameters: 5.4942; 5.4942; 5.4942; 90; 90; 90;

COD ID: 2007667

Formula: - N2 O6 Sr -
Comments: El-Bali, Brahim; Bolte, Michael Sr(NO~3~)~2~ at 173K Acta Crystallographica Section C 54(9) (1998) IUC9800046
Space group: P a -3
Cell volume: 478.58
Cell parameters: 7.822; 7.822; 7.822; 90; 90; 90;

COD ID: 2008541

Formula: - C27 H36 Cl4 Fe2 N6 -
Comments: Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H. Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^ Acta Crystallographica Section C 55(6) (1999) 886-889
Space group: P a -3
Cell volume: 6637.3
Cell parameters: 18.793; 18.793; 18.793; 90; 90; 90;

COD ID: 2008723

Formula: - C33 H33 N3 O3 -
Comments: Herbstein, Frank H. N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group Paøverline{3}) and not orthorhombic (space group Pbca). Erratum Acta Crystallographica Section C 55(7) (1999) 1196
Space group: P a -3
Cell volume: 5698.9
Cell parameters: 17.862; 17.862; 17.862; 90; 90; 90;

COD ID: 2009711
CIF file Original IUCr paper	Formula: - C18 H15 As I2 - Comments: Abbas, S.; Godfrey, S.M.; McAuliffe, C.A.; Pritchard, R.G. A cubic modification of (triphenylarsine)diiodine Acta Crystallographica Section C 50(5) (1994) 717-719 Space group: P a -3 Cell volume: 3686.5 Cell parameters: 15.448; 15.448; 15.448; 90; 90; 90;

COD ID: 2009888
CIF file Original IUCr paper	Formula: - C85 H78 Cl3 F9 O9 P6 Rh2 S3 - Comments: Bachechi, Fiorella A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~] Acta Crystallographica Section C 50(7) (1994) 1069-1072 Space group: P a -3 Cell volume: 18463 Cell parameters: 26.43; 26.43; 26.43; 90; 90; 90;

COD ID: 2010226
CIF file Original IUCr paper	Formula: - C H N3 O6 - Comments: Schodel, H.; Dienelt, R.; Bock, H. Trinitromethane Acta Crystallographica Section C 50(11) (1994) 1790-1792 Space group: P a -3 Cell volume: 1111.29 Cell parameters: 10.358; 10.358; 10.358; 90; 90; 90;

COD ID: 2010607

Formula: - C16 H32 Cd3 N12 O S6 -
Comments: Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray A three-dimensional network of cadmium Acta Crystallographica Section C 56(2) (2000) 146-148
Space group: P a -3
Cell volume: 3427
Cell parameters: 15.0766; 15.0766; 15.0766; 90; 90; 90;

COD ID: 2011079

Formula: - Cr H24 O20 Rb S2 -
Comments: Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N. The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K Acta Crystallographica Section C 56(7) (2000) 731-734
Space group: P a -3
Cell volume: 1859.1
Cell parameters: 12.296; 12.296; 12.296; 90; 90; 90;

COD ID: 2011080

Formula: - Cr H24 O20 Rb S2 -
Comments: Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N. The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K Acta Crystallographica Section C 56(7) (2000) 731-734
Space group: P a -3
Cell volume: 1834.2
Cell parameters: 12.241; 12.241; 12.241; 90; 90; 90;

COD ID: 2011081

Formula: - Cr Cs H24 O20 Se2 -
Comments: Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N. The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K Acta Crystallographica Section C 56(7) (2000) 731-734
Space group: P a -3
Cell volume: 1993.2
Cell parameters: 12.585; 12.585; 12.585; 90; 90; 90;

COD ID: 2011082

Formula: - Cr Cs H24 O20 Se2 -
Comments: Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N. The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K Acta Crystallographica Section C 56(7) (2000) 731-734
Space group: P a -3
Cell volume: 1963.5
Cell parameters: 12.522; 12.522; 12.522; 90; 90; 90;

COD ID: 2011792
CIF file Original IUCr paper	Formula: - O7 P2 Ti - Comments: Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen A TiP~2~O~7~ superstructure Acta Crystallographica Section C 57(3) (2001) 225-227 Space group: P a -3 Cell volume: 13034.3 Cell parameters: 23.534; 23.534; 23.534; 90; 90; 90;

COD ID: 2011815

Formula: - C12 H27 P Se -
Comments: Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred Tris(tert-butyl)phosphine selenide, the missing link in tris(tert-butyl)phosphine chalcogenide structures ^t^Bu~3~P=X (X = O, S, Se, Te) Acta Crystallographica Section C 57(3) (2001) 323-324
Space group: P a -3
Cell volume: 3034.3
Cell parameters: 14.4773; 14.4773; 14.4773; 90; 90; 90;

COD ID: 2012064

Formula: - C12 H27 P S -
Comments: Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred Tris(tert-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents Acta Crystallographica Section C 57(7) (2001) 835-837
Space group: P a -3
Cell volume: 2883
Cell parameters: 14.232; 14.232; 14.232; 90; 90; 90;

COD ID: 2014623

Formula: - C72 H66 Cl3 Fe N6 S6 -
Comments: Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F. The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes Acta Crystallographica Section C 61(1) (2005) m34-m39
Space group: P a -3
Cell volume: 6704.9
Cell parameters: 18.8566; 18.8566; 18.8566; 90; 90; 90;

COD ID: 2015225

Formula: - C20 H22 B2 Cl6 Mg N12 -
Comments: María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates Acta Crystallographica Section C 62(4) (2006) m132-m135
Space group: P a -3
Cell volume: 2953.4
Cell parameters: 14.3475; 14.3475; 14.3475; 90; 90; 90;

COD ID: 2015226

Formula: - C20 H22 B2 Ca Cl6 N12 -
Comments: María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez Facial π···Cl···π interactions as the directing motif of the supramolecular structures of Mg^2+^ and Ca^2+^ bis[hydrotris(pyrazolyl)borate] chloroform disolvates Acta Crystallographica Section C 62(4) (2006) m132-m135
Space group: P a -3
Cell volume: 3156.9
Cell parameters: 14.6697; 14.6697; 14.6697; 90; 90; 90;

COD ID: 2015402

Formula: - As F12 I -
Comments: Evgeny Goreshnik; Zoran Mazej Hexafluoroiodium(VII) hexafluoroarsenate Acta Crystallographica Section C 62(7) (2006) i59-i60
Space group: P a -3
Cell volume: 833
Cell parameters: 9.409; 9.409; 9.409; 90; 90; 90;

COD ID: 2017322
CIF file Original IUCr paper	Formula: - O7.9 V0.2 W1.8 Zr - Comments: Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua Disordered structure of ZrW~1.8~V~0.2~O~7.9~ from a combined X-ray and neutron powder diffraction study at 530 K Acta Crystallographica Section C 65(10) (2009) i74-i76 Space group: P a -3 Cell volume: 758.019 Cell parameters: 9.11787; 9.11787; 9.11787; 90; 90; 90;

COD ID: 2017431

Formula: - B12 H26 K2 Ni10 O72 P12 -
Comments: Yakubovich, Olga V.; Steele, Ian M.; Massa, Werner; Dimitrova, Olga V. 12-Membered borophosphate rings in KNi~5~[P~6~B~6~O~23~(OH)~13~] Acta Crystallographica Section C 65(12) (2009) i94-i98
Space group: P a -3
Cell volume: 2442.4
Cell parameters: 13.467; 13.467; 13.467; 90; 90; 90;

COD ID: 2018267

Formula: - C6 H21 B6 Co N3 O13 -
Comments: Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue Acta Crystallographica Section C 67(11) (2011) m338-m341
Space group: P a -3
Cell volume: 3567.3
Cell parameters: 15.2796; 15.2796; 15.2796; 90; 90; 90;

COD ID: 2018268

Formula: - C6 H21 B6 N3 Ni O13 -
Comments: Lan, Shao-Min; Di, Wen-Jing; Shao, Zhi-Dong; Liang, Yun-Xiao Two new transition metal inorganic‒organic hybrid borates: [tris(2-aminoethoxy)trihydroxyhexaborato]cobalt(II) and its nickel(II) analogue Acta Crystallographica Section C 67(11) (2011) m338-m341
Space group: P a -3
Cell volume: 3526.9
Cell parameters: 15.2217; 15.2217; 15.2217; 90; 90; 90;

COD ID: 2020196
CIF file	Formula: - Ca1.15 Ge3 Na3.7 O9 - Comments: Nishi, F.; Takeuchi, Y. Cubic structure of sodium calcium germanate Na3.7 Ca1.15 Ge3 O9 Acta Crystallographica C (39,1983-) 44 (1988) 1867-1869 Space group: P a -3 Cell volume: 3815.43 Cell parameters: 15.626; 15.626; 15.626; 90; 90; 90;

COD ID: 2020626
CIF file Original IUCr paper	Formula: - C66 H79 B Hf N6 S3 - Comments: Rong, Yi; Sambade, David; Parkin, Gerard Molecular structures of tris(1-<i>tert</i>-butyl-2-mercaptoimidazolyl)hydroborate complexes of titanium, zirconium and hafnium Acta Crystallographica Section C 72(11) (2016) 806-812 Space group: P a -3 Cell volume: 12397.1 Cell parameters: 23.1441; 23.1441; 23.1441; 90; 90; 90;

COD ID: 2020790

Formula: - C3 H18 F6 N9 V -
Comments: Black, Cameron; Lightfoot, Philip Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite Acta Crystallographica Section C 73(3) (2017) 244-246
Space group: P a -3
Cell volume: 2800.2
Cell parameters: 14.095; 14.095; 14.095; 90; 90; 90;

COD ID: 2020879

Formula: - C36 H75 Cl2 Fe7 N6 O26 -
Comments: van der Horn, Jitschaq A.; Lutz, Martin Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine) Acta Crystallographica Section C 74(2) (2018)
Space group: P a -3
Cell volume: 10776.9
Cell parameters: 22.0884; 22.0884; 22.0884; 90; 90; 90;

COD ID: 2020897
CIF file	Formula: - N2 O6 Pb - Comments: Nowotny, H.; Heger, G. Structure refinement of lead nitrate Acta Crystallographica, Section C: Crystal Structure Communications 42(2) (1986) 133-135 Space group: P a -3 Cell volume: 485.33 Cell parameters: 7.8586; 7.8586; 7.8586; 90; 90; 90;

COD ID: 2022864

Formula: - N2 Si -
Comments: Jurzick, Pascal L.; Krach, Georg; Brüning, Lukas; Schnick, Wolfgang; Bykov, Maxim Synthesis and crystal structure of silicon pernitride SiN2 at 140 GPa Acta Crystallographica Section E Crystallographic Communications 79(10) (2023)
Space group: P a -3
Cell volume: 69.96
Cell parameters: 4.1205; 4.1205; 4.1205; 90; 90; 90;

COD ID: 2100840
CIF file Original IUCr paper	Formula: - C2 H2 - Comments: McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B 48(5) (1992) 726-731 Space group: P a -3 Cell volume: 226.31 Cell parameters: 6.094; 6.094; 6.094; 90; 90; 90;

COD ID: 2100841
CIF file Original IUCr paper	Formula: - C2 H2 - Comments: McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B 48(5) (1992) 726-731 Space group: P a -3 Cell volume: 227.54 Cell parameters: 6.105; 6.105; 6.105; 90; 90; 90;

COD ID: 2100842
CIF file Original IUCr paper	Formula: - C2 D2 - Comments: McMullan, R. K.; Kvick, Å.; Popelier, P. Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction Acta Crystallographica Section B 48(5) (1992) 726-731 Space group: P a -3 Cell volume: 227.2 Cell parameters: 6.102; 6.102; 6.102; 90; 90; 90;

COD ID: 2102034
CIF file Original IUCr paper	Formula: - Al H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1786.98 Cell parameters: 12.135; 12.135; 12.135; 90; 90; 90;

COD ID: 2102035
CIF file Original IUCr paper	Formula: - Al H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1799.82 Cell parameters: 12.164; 12.164; 12.164; 90; 90; 90;

COD ID: 2102036
CIF file Original IUCr paper	Formula: - Al H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1818.98 Cell parameters: 12.207; 12.207; 12.207; 90; 90; 90;

COD ID: 2102037
CIF file Original IUCr paper	Formula: - Al H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1829.5 Cell parameters: 12.2305; 12.2305; 12.2305; 90; 90; 90;

COD ID: 2102038
CIF file Original IUCr paper	Formula: - Cr H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1821.79 Cell parameters: 12.2133; 12.2133; 12.2133; 90; 90; 90;

COD ID: 2102039
CIF file Original IUCr paper	Formula: - Cr H24 K O20 S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1829.5 Cell parameters: 12.2305; 12.2305; 12.2305; 90; 90; 90;

COD ID: 2102040
CIF file Original IUCr paper	Formula: - Ga H24 O20 Rb S2 - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1846.34 Cell parameters: 12.2679; 12.2679; 12.2679; 90; 90; 90;

COD ID: 2102041
CIF file Original IUCr paper	Formula: - Ga H24 O20 S2 Tl - Comments: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M. Structure of the alums. I. On the sulfate group disorder in the α-alums Acta Crystallographica Section B 56(2) (2000) 204-209 Space group: P a -3 Cell volume: 1832.33 Cell parameters: 12.2368; 12.2368; 12.2368; 90; 90; 90;

COD ID: 2104027
CIF file Original IUCr paper	Formula: - Ge O2 - Comments: Shiraki, Koichi; Tsuchiya, Taku; Ono, Shigeaki Structural refinements of high-pressure phases in germanium dioxide Acta Crystallographica Section B 59(6) (2003) 701-708 Space group: P a -3 Cell volume: 81.55 Cell parameters: 4.3365; 4.3365; 4.3365; 90; 90; 90;

COD ID: 2105369
CIF file	Formula: - Ag4 N2 O6 Te - Comments: Schultze-Rhonhof, E. Die Kristallstruktur von alpha-Tetrasilbertelluriddinitrat Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2837-2840 Space group: P a -3 Cell volume: 545.939 Cell parameters: 8.173; 8.173; 8.173; 90; 90; 90;

COD ID: 2105408
CIF file	Formula: - B2 Ca O4 - Comments: Marezio, M.; Dernier, P.D.; Remeika, J.P. The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4 Acta Crystallographica B (24,1968-38,1982) 25 (1969) 965-970 Space group: P a -3 Cell volume: 730.946 Cell parameters: 9.008; 9.008; 9.008; 90; 90; 90;

COD ID: 2105706

Formula: - Br4 Si -
Comments: Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4‒ prediction and determination of crystal structures Acta Crystallographica Section B Structural Science 65(3) (2009) 342-349
Space group: P a -3
Cell volume: 1396.29
Cell parameters: 11.17701; 11.17701; 11.17701; 90; 90; 90;

COD ID: 2106623
CIF file Original IUCr paper	Formula: - F5 H12 N3 O2 W - Comments: Udovenko, Anatoly; Laptash, Natalia Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder Acta Crystallographica Section B 71(4) (2015) 478-483 Space group: P a -3 Cell volume: 1712.28 Cell parameters: 11.9635; 11.9635; 11.9635; 90; 90; 90;

COD ID: 2106653

Formula: - F7 H12 N3 Ti -
Comments: Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M. Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 70(6) (2014) 924-931
Space group: P a -3
Cell volume: 1636.01
Cell parameters: 11.78316; 11.78316; 11.78316; 90; 90; 90;

COD ID: 2107239
CIF file	Formula: - Cr F6 H18 Mn N6 - Comments: Wieghardt, K.; Weiss, J. Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III) Acta Crystallographica B (24,1968-38,1982) 28 (1972) 529-534 Space group: P a -3 Cell volume: 1017.8 Cell parameters: 10.059; 10.059; 10.059; 90; 90; 90;

COD ID: 2107240
CIF file	Formula: - Cr F6 Fe H18 N6 - Comments: Wieghardt, K.; Weiss, J. Die Kristallstrukturen von Hexamminchrom(III) Hexafluoromanganat(III) und Hexamminchrom(III) Hexafluoroferrat(III) Acta Crystallographica B (24,1968-38,1982) 28 (1972) 529-534 Space group: P a -3 Cell volume: 1023.89 Cell parameters: 10.079; 10.079; 10.079; 90; 90; 90;

COD ID: 2108033

Formula: - C88 H40 Br2 F12 I12 P2 -
Comments: Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B 73(2) (2017)
Space group: P a -3
Cell volume: 11230.5
Cell parameters: 22.3941; 22.3941; 22.3941; 90; 90; 90;

COD ID: 2108350

COD ID: 2108846
CIF file HKL data	Formula: - Cd432.91 Mg177.41 Y90.4 - Comments: Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid 2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems Acta Crystallographica Section B 77(4) (2021) Space group: P a -3 Cell volume: 15748 Cell parameters: 25.0654; 25.0654; 25.0654; 90; 90; 90;

COD ID: 2200315

Formula: - C24 H48 Cl6 Fe3 O7 -
Comments: Bolte, Michael; Lerner, Hans-Wolfram; Scholz, Stefan [Fe(thf)~6~][Cl~3~Fe‒O‒FeCl~3~] Acta Crystallographica Section E 57(6) (2001) m216-m217
Space group: P a -3
Cell volume: 3542.4
Cell parameters: 15.244; 15.244; 15.244; 90; 90; 90;

COD ID: 2202247

Formula: - C4 H12 Pb -
Comments: Holger Fleischer; Simon Parsons; Colin R. Pulham Tetramethyllead(IV) at 150K Acta Crystallographica Section E 59(1) (2003) m11-m13
Space group: P a -3
Cell volume: 1394.6
Cell parameters: 11.1725; 11.1725; 11.1725; 90; 90; 90;

COD ID: 2203958
CIF file Original IUCr paper	Formula: - Cr H28 N O20 S2 - Comments: Rempfer, Nora; Lerner, Hans-Wolfram; Bolte, Michael The ammonium chromium(III) alum NH~4~Cr(SO~4~)~2~.12H~2~O Acta Crystallographica, Section E 60(7) (2004) i80-i81 Space group: P a -3 Cell volume: 1837.9 Cell parameters: 12.2491; 12.2491; 12.2491; 90; 90; 90;

COD ID: 2205949

Formula: - C15 H21 Mn Na O6 -
Comments: Saha, Amrita; Musie, Ghezai; Powell, Douglas R. Sodium tris(acetylacetonato-κ^2^O,O')manganese(II) Acta Crystallographica Section E 61(6) (2005) m1144-m1146
Space group: P a -3
Cell volume: 10757
Cell parameters: 22.075; 22.075; 22.075; 90; 90; 90;

COD ID: 2215685

Formula: - Cl2 H6 N2 -
Comments: Kruszynski, Rafal; Trzesowska, Agata Redetermination of hydrogenhydrazinium dichloride Acta Crystallographica Section E 63(10) (2007) i179-i179
Space group: P a -3
Cell volume: 488.02
Cell parameters: 7.8731; 7.8731; 7.8731; 90; 90; 90;

COD ID: 2232239

Formula: - Ca2.894 N1.76 O4.24 Si2 -
Comments: Sharafat, Ali; Berastegui, Pedro; Esmaeilzadeh, Saeid; Eriksson, Lars; Grins, Jekabs A cubic calcium oxynitrido-silicate, Ca~2.89~Si~2~N~1.76~O~4.24~ Acta Crystallographica Section E 67(11) (2011) i66
Space group: P a -3
Cell volume: 3417.43
Cell parameters: 15.0626; 15.0626; 15.0626; 90; 90; 90;

COD ID: 2239407
CIF file Original IUCr paper	Formula: - As2 Br3 Cd4 - Comments: Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos Cd~4~As~2~Br~3~ Acta Crystallographica Section E 70(3) (2014) i15 Space group: P a -3 Cell volume: 2012.3 Cell parameters: 12.625; 12.625; 12.625; 90; 90; 90;

COD ID: 2242573

Formula: - C9 H27 Br Si4 -
Comments: Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R. Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane Acta Crystallographica Section E 74(8) (2018) 1142-1146
Space group: P a -3
Cell volume: 3832.8
Cell parameters: 15.6497; 15.6497; 15.6497; 90; 90; 90;

COD ID: 2244159

Formula: - B12 H3 K Mg2 O22 -
Comments: Qiu, Qi-Ming; Song, Jian-Biao Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate] Acta Crystallographica Section E 78(10) (2022) 1003-1005
Space group: P a -3
Cell volume: 1859.32
Cell parameters: 12.2966; 12.2966; 12.2966; 90; 90; 90;

COD ID: 2310113
CIF file Original IUCr paper	Formula: - Al72.515 Cr4.928 Fe7.853 Pd22.498 - Comments: Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang Cluster-packing geometry for Al-based F-type icosahedral alloys Acta Crystallographica Section A 69(3) (2013) 322-340 Space group: P a -3 Cell volume: 66629.6 Cell parameters: 40.5405; 40.5405; 40.5405; 90; 90; 90;

COD ID: 2310368
CIF file	Formula: - Al Cs H24 O20 S2 - Comments: Cromer, D.T.; Kay, M.I.; Larson, A.C. Refinement of the alum structures. I. X-ray and neutron diffraction study of Cs Al (S O4)2 * (H2 O)12, a beta Alum Acta Crystallographica (1,1948-23,1967) 21 (1966) 383-389 Space group: P a -3 Cell volume: 1884.57 Cell parameters: 12.352; 12.352; 12.352; 90; 90; 90;

COD ID: 2310370
CIF file	Formula: - Al D28 N O20 S2 - Comments: Cromer, D.T.; Kay, M.I. Refinement of the alum structures IV. Neutron diffraction study of deuterated ammonium alum, N D4 Al (S O4)2 (D2 O)12, an alpha-Alum Acta Crystallographica (1,1948-23,1967) 22 (1967) 800-805 Space group: P a -3 Cell volume: 1835.12 Cell parameters: 12.243; 12.243; 12.243; 90; 90; 90;

COD ID: 2310817
CIF file	Formula: - I4 Sn - Comments: Meller, F.; Fankuchen, I. The crystal structure of tin tetraiodide Acta Crystallographica (1,1948-23,1967) 8 (1955) 343-344 Space group: P a -3 Cell volume: 1842.77 Cell parameters: 12.26; 12.26; 12.26; 90; 90; 90;

COD ID: 2310876
CIF file	Formula: - C4 Ni O4 - Comments: Ladell, J.; Post, B.; Fankuchen, I. The Crystal Structure of Nickel Carbonyl, Ni (C O)4 Acta Crystallographica (1,1948-23,1967) 5 (1952) 795-800 Space group: P a -3 Cell volume: 1273.76 Cell parameters: 10.84; 10.84; 10.84; 90; 90; 90;

COD ID: 3000231
CIF file is on hold until 2019-09-26	Formula: - C26 H35 Br3 N Ni P - Comments: Francois Baril-Robert Nicolas Belanger-Desmarais, Christian Reber To be published () Space group: P a -3 Cell volume: 5579.23 Cell parameters: 17.7361; 17.7361; 17.7361; 90; 90; 90;

COD ID: 4000095
CIF file	Formula: - Ga K O14 Te6 - Comments: Ok, Kang Min; Halasyamani, P. Shiv New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O Chemistry of Materials 13(11) (2001) 4278-4284 Space group: P a -3 Cell volume: 1304.57 Cell parameters: 10.9267; 10.9267; 10.9267; 90; 90; 90;

COD ID: 4003029

Formula: - Ni P2 -
Comments: Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials Chemistry of Materials 31(9) (2019) 3407
Space group: P a -3
Cell volume: 161.656
Cell parameters: 5.4475; 5.4475; 5.4475; 90; 90; 90;

COD ID: 4003218
CIF file	Formula: - C60 H42 N12 O19 Zn4 - Comments: Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform Chemistry of Materials 28(7) (2016) 2000 Space group: P a -3 Cell volume: 39235.7 Cell parameters: 33.9803; 33.9803; 33.9803; 90; 90; 90;

COD ID: 4021982

Formula: - C39 H45 Br3 O3 -
Comments: Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence Journal of Organic Chemistry 71 (2006) 7858-7861
Space group: P a -3
Cell volume: 7683.2
Cell parameters: 19.732; 19.732; 19.732; 90; 90; 90;

COD ID: 4021985

Formula: - C39 H45 I3 O3 -
Comments: Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence Journal of Organic Chemistry 71 (2006) 7858-7861
Space group: P a -3
Cell volume: 7814
Cell parameters: 19.844; 19.844; 19.844; 90; 90; 90;

COD ID: 4027818

Formula: - Ag2 As4 Hg7 I6 -
Comments: Olenev, A.V.; Vorontsov, I.I.; Baranov, A.I.; Antipin, M.Yu.; Shevelkov, A.V.; Oleneva, O.S. Synthesis, Crystal and Electronic Structure of [Hg7 As4] (Ag I3)2, a Novel Supramolecular Complex with the Off-plane (AgI3)2(2-) Guest Anion. European Journal of Inorganic Chemistry 2003 (2003) 1053-1057
Space group: P a -3
Cell volume: 2251.95
Cell parameters: 13.1075; 13.1075; 13.1075; 90; 90; 90;

COD ID: 4031390
CIF file	Formula: - Cs H24 O20 S2 V - Comments: Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1930.71 Cell parameters: 12.452; 12.452; 12.452; 90; 90; 90;

COD ID: 4031391
CIF file	Formula: - Cr Cs H24 O20 S2 - Comments: Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1912.63 Cell parameters: 12.413; 12.413; 12.413; 90; 90; 90;

COD ID: 4031392
CIF file	Formula: - Cs Fe H24 O20 S2 - Comments: Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Structural studies of the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1929.32 Cell parameters: 12.449; 12.449; 12.449; 90; 90; 90;

COD ID: 4031393
CIF file	Formula: - Co Cs H24 O20 S2 - Comments: Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Structural studies of the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1857.24 Cell parameters: 12.292; 12.292; 12.292; 90; 90; 90;

COD ID: 4031394
CIF file	Formula: - Cs Ga H24 O20 S2 - Comments: Beattie, J.K.; Best, S.P.; White, A.H.; Skelton, B.W. Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1914.94 Cell parameters: 12.418; 12.418; 12.418; 90; 90; 90;

COD ID: 4031395
CIF file	Formula: - Cs H24 In O20 S2 - Comments: Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Structural studies on the cesium alums Cs M(III) (S O4)2 (H2 O)12 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2105-2111 Space group: P a -3 Cell volume: 1971.94 Cell parameters: 12.54; 12.54; 12.54; 90; 90; 90;

COD ID: 4031584

Formula: - Cs D24 Mo O20 S2 -
Comments: Best, S.P.; Forsyth, J.P.; Tregenna-Piggott, P.L. Influence of the stereochemistry of water co-ordination to metall(III) cations on the M-O bond length and electronic structure of the cation Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1993 (1993) 2711-2715
Space group: P a -3
Cell volume: 1923.28
Cell parameters: 12.436; 12.436; 12.436; 90; 90; 90;

COD ID: 4031794

Formula: - Cs H24 Ir O20 S2 -
Comments: Armstrong, R.S.; Beattie, J.K.; Best, S.P.; Skelton, B.W.; White, A.H. Crystal Structures of the alpha Alums Cs M(S O4)2 * 12 H2 O (M = Rh or Ir) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1983 (1983) 1973-1975
Space group: P a -3
Cell volume: 1904.32
Cell parameters: 12.395; 12.395; 12.395; 90; 90; 90;

COD ID: 4031808
CIF file	Formula: - Mg Te2 - Comments: Yanagisawa, S.; Tashiro, M.; Anzai, S. Crystal Structure of Magnesium Ditelluride Journal of Inorganic and Nuclear Chemistry 31 (1969) 943-946 Space group: P a -3 Cell volume: 346.688 Cell parameters: 7.025; 7.025; 7.025; 90; 90; 90;

COD ID: 4038065
CIF file	Formula: - C88 H108 B6 O12 - Comments: Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro Six-fold C‒H borylation of hexa-peri-hexabenzocoronene Beilstein Journal of Organic Chemistry 16 (2020) 391-397 Space group: P a -3 Cell volume: 7897.6 Cell parameters: 19.9143; 19.9143; 19.9143; 90; 90; 90;

COD ID: 4038951
CIF file	Formula: - C109 H28 N12 S6 - Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry 82 (2017) 5034-5045 Space group: P a -3 Cell volume: 6755 Cell parameters: 18.9035; 18.9035; 18.9035; 90; 90; 90;

COD ID: 4038952
CIF file	Formula: - C113 H16 N12 S12 - Comments: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry 82 (2017) 5034-5045 Space group: P a -3 Cell volume: 7419.4 Cell parameters: 19.504; 19.504; 19.504; 90; 90; 90;

COD ID: 4061560
CIF file	Formula: - C26 H45 P3 Ru - Comments: Organometallics (2005) Space group: P a -3 Cell volume: 5410.1 Cell parameters: 17.555; 17.555; 17.555; 90; 90; 90;

COD ID: 4062043
CIF file	Formula: - C7 H17 Li O P2 - Comments: Organometallics (2003) Space group: P a -3 Cell volume: 6931.7 Cell parameters: 19.067; 19.067; 19.067; 90; 90; 90;

COD ID: 4062477

Formula: - C21 H15 F3 Ge -
Comments: Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E. Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments. Organometallics 22(26) (2003) 5534-5542
Space group: P a -3
Cell volume: 3555.6
Cell parameters: 15.2629; 15.2629; 15.2629; 90; 90; 90;

COD ID: 4062478

Formula: - C21 H15 F3 Si -
Comments: Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E. Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments. Organometallics 22(26) (2003) 5534-5542
Space group: P a -3
Cell volume: 3487.9
Cell parameters: 15.1654; 15.1654; 15.1654; 90; 90; 90;

COD ID: 4063340
CIF file	Formula: - C258 H330 N18 O6 Sr6 - Comments: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon Dearomatization and C‒H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter? Organometallics 29(19) (2010) 4203-4206 Space group: P a -3 Cell volume: 23587.3 Cell parameters: 28.6787; 28.6787; 28.6787; 90; 90; 90;

COD ID: 4063341
CIF file	Formula: - C43 H55 Ba N3 O - Comments: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon Dearomatization and C–H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter? Organometallics 29(19) (2010) 4203-4206 Space group: P a -3 Cell volume: 23751.8 Cell parameters: 28.7452; 28.7452; 28.7452; 90; 90; 90;

COD ID: 4068182

Formula: - C51 H66 Cr2 N3 P4 -
Comments: Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Budzelaar, Peter Isolation and Characterization of a Class II Mixed-Valence Chromium(I)/(II) Self-Activating Ethylene Trimerization Catalyst Organometallics 31(1) (2012) 486
Space group: P a -3
Cell volume: 10286.7
Cell parameters: 21.7483; 21.7483; 21.7483; 90; 90; 90;

COD ID: 4075081
CIF file	Formula: - C40 H51 Br3 Ge O3 - Comments: Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand Organometallics 25(14) (2006) 3388 Space group: P a -3 Cell volume: 7655.5 Cell parameters: 19.7087; 19.7087; 19.7087; 90; 90; 90;

COD ID: 4075082
CIF file	Formula: - C37 H48 Ge I3 O3 - Comments: Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand Organometallics 25(14) (2006) 3388 Space group: P a -3 Cell volume: 7909.6 Cell parameters: 19.9244; 19.9244; 19.9244; 90; 90; 90;

COD ID: 4080465

Formula: - C28 H22 N6 Ni O2 -
Comments: Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J. Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes Organometallics 32(6) (2013) 1913
Space group: P a -3
Cell volume: 15679
Cell parameters: 25.029; 25.029; 25.029; 90; 90; 90;

COD ID: 4080468

Formula: - C29 H26 N6 O3 Pd -
Comments: Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J. Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes Organometallics 32(6) (2013) 1913
Space group: P a -3
Cell volume: 16013
Cell parameters: 25.205; 25.205; 25.205; 90; 90; 90;

COD ID: 4089392
CIF file	Formula: - C48 H60 Al4 O6 - Comments: Bakthavachalam, K.; Reddy, N. Dastagiri Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone Organometallics 32(11) (2013) 3174 Space group: P a -3 Cell volume: 9387.8 Cell parameters: 21.0954; 21.0954; 21.0954; 90; 90; 90;

COD ID: 4100374
CIF file	Formula: - C84 H84 Cl5 F6 O3 P7 Ru3 - Comments: Chen, Yiyun; .; Ho, Douglas M.; .; Lee, Chulbom; . Ruthenium-Catalyzed Hydrative Cyclization of 1,5-Enynes Journal of the American Chemical Society (2005) Space group: P a -3 Cell volume: 17594.7 Cell parameters: 26.0092; 26.0092; 26.0092; 90; 90; 90;

COD ID: 4101360
CIF file	Formula: - Mg2.52 Sc11.18 Zn73.61 - Comments: Lin, Qisheng; Corbett, John D The 1/1 and 2/1 approximants in the Sc-Mg-Zn quasicrystal system: triacontahedral clusters as fundamental building blocks. Journal of the American Chemical Society 128(40) (2006) 13268-13273 Space group: P a -3 Cell volume: 11257.5 Cell parameters: 22.412; 22.412; 22.412; 90; 90; 90;

COD ID: 4107383