Search results

Formula: - Ag3 O4 P -
Comments: Masse, R; Tordjman, I; Durif, A Affinement de la structure cristalline du monophosphate d'argent Ag~3~ P O~4~. Existence d'une forme haute temperature Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 144 (1976) 76-81
Space group: P -4 3 n
Cell volume: 218.8
Cell parameters: 6.026; 6.026; 6.026; 90; 90; 90;

COD ID: 1008496
CIF file	Formula: - Cr2 H42 O39 P6 - Comments: Bagieu-Bacher, M; Averbuch-Pouchot, M T; Rzaigui, M Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium cyclo-hexaphosphate henicosahydrate Acta Crystallographica C (39,1983-) 47 (1991) 1364-1366 Space group: P -4 3 n Cell volume: 6915.5 Cell parameters: 19.052; 19.052; 19.052; 90; 90; 90;

COD ID: 1010316
CIF file	Formula: - Al6 H1.2 Na8 O24.6 S2.5 Si6 - Comments: Podschus, E; Hofmann, U; Leschewski, K Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten Zeitschrift fuer Anorganische und Allgemeine Chemie 228 (1936) 305-333 Space group: P -4 3 n Cell volume: 743.7 Cell parameters: 9.06; 9.06; 9.06; 90; 90; 90;

COD ID: 1010317
CIF file	Formula: - Ag8 Al6 O24 S1.95 Si6 - Comments: Podschus, E; Hofmann, U; Leschewski, K Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten Zeitschrift fuer Anorganische und Allgemeine Chemie 228 (1936) 305-333 Space group: P -4 3 n Cell volume: 724.2 Cell parameters: 8.98; 8.98; 8.98; 90; 90; 90;

COD ID: 1010324
CIF file	Formula: - Ag3 O4 P - Comments: Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics 4 (1936) 316-322 Space group: P -4 3 n Cell volume: 215.5 Cell parameters: 5.995; 5.995; 5.995; 90; 90; 90;

COD ID: 1010493
CIF file	Formula: - Ag3 O4 P - Comments: Wyckoff, R W G Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 529-539 Space group: P -4 3 n Cell volume: 215.6 Cell parameters: 5.996; 5.996; 5.996; 90; 90; 90;

COD ID: 1010494
CIF file	Formula: - Ag3 As O4 - Comments: Wyckoff, R W G Die Kristallstruktur von Silberphosphat und Silberarsenat (Ag~3~ X O~4~). Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 529-539 Space group: P -4 3 n Cell volume: 229.7 Cell parameters: 6.124; 6.124; 6.124; 90; 90; 90;

COD ID: 1010605
CIF file	Formula: - Ag3 O4 P - Comments: Wyckoff, R W G Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~) American Journal of Science, Serie 5(1,1921-1938) 10 (1925) 107-118 Space group: P -4 3 n Cell volume: 216 Cell parameters: 6; 6; 6; 90; 90; 90;

COD ID: 1010606
CIF file	Formula: - Ag3 As O4 - Comments: Wyckoff, R W G Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~) American Journal of Science, Serie 5(1,1921-1938) 10 (1925) 107-118 Space group: P -4 3 n Cell volume: 229.2 Cell parameters: 6.12; 6.12; 6.12; 90; 90; 90;

COD ID: 1011157
CIF file	Formula: - Al6 H1.7 Li4 Na4 O24.85 S2.05 Si6 - Comments: Podschus, E; Hofmann, U; Leschewski, K Roentgenographische Strukturuntersuchungen von Ultramarinblau und seinen Reaktionsprodukten Zeitschrift fuer Anorganische und Allgemeine Chemie 228 (1936) 305-333 Space group: P -4 3 n Cell volume: 654 Cell parameters: 8.68; 8.68; 8.68; 90; 90; 90;

COD ID: 1011185
CIF file	Formula: - Al6 Cl2 Na8 O24 Si6 - Comments: Pauling, L The structure of sodalite and helvite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 213-225 Space group: P -4 3 n Cell volume: 697.9 Cell parameters: 8.87; 8.87; 8.87; 90; 90; 90;

COD ID: 1011244
CIF file	Formula: - Al6 Ca2 Na6 O32 S2 Si6 - Comments: Machatschki, F Kristallstruktur von Hauyn und Nosean Zentralblatt fuer Mineralogie und Geologie, A 1934 (1934) 136-144 Space group: P -4 3 n Cell volume: 753.6 Cell parameters: 9.1; 9.1; 9.1; 90; 90; 90;

COD ID: 1101222

Formula: - C24 H118 Al6 N16 O65 P12 Zn3 -
Comments: Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society 125 (2003) 9102-9110
Space group: P -4 3 n
Cell volume: 4736.72
Cell parameters: 16.7942; 16.7942; 16.7942; 90; 90; 90;

COD ID: 1510009

Formula: - Ag3 Al3 O12 Si3 -
Comments: Kempa, P.B.; Wiebcke, M.; Assmann, S.; Felsche, J.; Behrens, P. The structures of anhydrous silver sodalite Ag3 (Al3 Si3 O12) at 298, 623, and 723K from Rietveld refinements of X-ray powder diffraction data: mechanism of thermal expansion and of the phase transition at 678K Journal of Solid State Chemistry 115 (1995) 55-65
Space group: P -4 3 n
Cell volume: 764.053
Cell parameters: 9.142; 9.142; 9.142; 90; 90; 90;

COD ID: 1510026
CIF file	Formula: - Ag3 O4 P - Comments: Tofield, B.C.; Cheetham, A.K.; Newsam, J.M. Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low-temperature form I-Ag3 P O4 Solid State Ionics 1 (1980) 377-393 Space group: P -4 3 n Cell volume: 222.655 Cell parameters: 6.061; 6.061; 6.061; 90; 90; 90;

COD ID: 1510027
CIF file	Formula: - Ag3 O4 P - Comments: Deschizeaux-Cheruy, M.N.; Capponi, J.J.; Vincent, H.; Aubert, J.J.; Joubert, J.C. Relation entre structure et conductivite ionique basse temperature de Ag3 P O4 Solid State Ionics 7 (1982) 171-176 Space group: P -4 3 n Cell volume: 221.226 Cell parameters: 6.048; 6.048; 6.048; 90; 90; 90;

COD ID: 1510036
CIF file	Formula: - Ag3 As O4 - Comments: Vegard, L.; Vasshaug, J. The crystal structure of Ag3 P O4 and Ag3 As O4 Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse 1947 (1947) 67-72 Space group: P -4 3 n Cell volume: 228.884 Cell parameters: 6.117; 6.117; 6.117; 90; 90; 90;

COD ID: 1515518

Formula: - C132 H132 Cl4 F36 Fe5 N24 O12 P6 -
Comments: Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D. Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine Chemical Science 2(3) (2011) 540
Space group: P -4 3 n
Cell volume: 10352.5
Cell parameters: 21.7946; 21.7946; 21.7946; 90; 90; 90;

COD ID: 1520804
CIF file	Formula: - Al6 Ge6 N2 Na8 O28 - Comments: Bachmann, S.; Buhl, J.C. Crystallisation, characterisation and structure of nitrite aluminogermanate sodalite Na8 (Al Ge O4)6 (N O2)2 Microporous and Mesoporous Materials 28 (1999) 35-47 Space group: P -4 3 n Cell volume: 750.027 Cell parameters: 9.08571; 9.08571; 9.08571; 90; 90; 90;

COD ID: 1521101
CIF file	Formula: - Al4.002 Mg1.998 O24 P6 - Comments: Han, S.-X.; Smith, J.V.; Pluth, J.J.; Richardson, J.W.jr. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit European Journal of Mineralogy (1,1989-) 2 (1990) 787-798 Space group: P -4 3 n Cell volume: 738.126 Cell parameters: 9.0374; 9.0374; 9.0374; 90; 90; 90;

COD ID: 1521112
CIF file	Formula: - Al4.002 Mg1.998 N2 O24 P6 - Comments: Han, S.-X.; Richardson, J.W.jr.; Smith, J.V.; Pluth, J.J. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit European Journal of Mineralogy (1,1989-) 2 (1990) 787-798 Space group: P -4 3 n Cell volume: 739.671 Cell parameters: 9.0437; 9.0437; 9.0437; 90; 90; 90;

COD ID: 1521487
CIF file	Formula: - Ag6 Al6 O24 Si6 - Comments: Latturner, S.E.; Sachleben, J.; Iversen, B.B.; Hanson, J.C.; Stucky, G.D. Covalent guest-framework interactions in heavy metal sodalites: structure and properties of thallium and silver sodalite J. Phys. Chem. B 103 (1999) 7135-7144 Space group: P -4 3 n Cell volume: 758.276 Cell parameters: 9.1189; 9.1189; 9.1189; 90; 90; 90;

COD ID: 1521488
CIF file	Formula: - Al6 O24 Si6 Tl6 - Comments: Latturner, S.E.; Sachleben, J.; Iversen, B.B.; Stucky, G.D.; Hanson, J.C. Covalent guest-framework interactions in heavy metal sodalites: structure and properties of thallium and silver sodalite J. Phys. Chem. B 103 (1999) 7135-7144 Space group: P -4 3 n Cell volume: 720.6 Cell parameters: 8.9653; 8.9653; 8.9653; 90; 90; 90;

COD ID: 1525728
CIF file	Formula: - C2 Al6 N2 Na8 O24 S2 Si6 - Comments: Buhl, J.C.; Gesing, T.M.; Gurris, C. Synthesis and crystal structure of rhodanide-enclathrated sodalite Na8 (Al Si O4)6 (S C N)2 Microporous and Mesoporous Materials 50 (2001) 25-32 Space group: P -4 3 n Cell volume: 747.797 Cell parameters: 9.0767; 9.0767; 9.0767; 90; 90; 90;

COD ID: 1525952

Formula: - Al3 H7 O16 Pb2 Si3 -
Comments: Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J. Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy Chemistry - A European Journal 6 (2000) 292-297
Space group: P -4 3 n
Cell volume: 746.143
Cell parameters: 9.07; 9.07; 9.07; 90; 90; 90;

COD ID: 1529906
CIF file	Formula: - Al6 H0.9 Na8 O24.9 Si6 - Comments: Emiraliev, A.; Yamzin, I.I. A neutron-diffraction study of the structure of hydrosodalite Kristallografiya 23 (1978) 57-60 Space group: P -4 3 n Cell volume: 702.121 Cell parameters: 8.888; 8.888; 8.888; 90; 90; 90;

COD ID: 1530489
CIF file	Formula: - Ag3.09 O4 P - Comments: Newsam, J.M.; Cheetham, A.K.; Tofield, B.C. Structural studies of the high-temperature modifications of sodium and silver orthophosphates, II-Na3 P O4 and II-Ag3 P O4, and of the low temperature form I-Ag3 P O4 Solid State Ionics 1 (1980) 377-393 Space group: P -4 3 n Cell volume: 217.028 Cell parameters: 6.0095; 6.0095; 6.0095; 90; 90; 90;

COD ID: 1534896
CIF file	Formula: - Al6 Cl2 K8 O24 Si6 - Comments: Beagley, B.; Henderson, C.M.B.; Taylor, D. The crystal structures of aluminoslicate-sodalites: X-ray diffraction studies and computer modelling Mineralogical Magazine (1969-) 46 (1982) 459-464 Space group: P -4 3 n Cell volume: 792.223 Cell parameters: 9.253; 9.253; 9.253; 90; 90; 90;

COD ID: 1535391
CIF file	Formula: - Cs8 Sn8 - Comments: Hoch, C.; Roehr, C. Alkalimetall-Stannid-Silicate und -Germanate: Doppelsalze mit dem Zintl-Anion Sn44- Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1541-1548 Space group: P -4 3 n Cell volume: 3015.57 Cell parameters: 14.4474; 14.4474; 14.4474; 90; 90; 90;

COD ID: 1535643
CIF file	Formula: - C0.9 H8.8 Al6 N0.9 Na6.9 O29.3 Si6 - Comments: Buhl, J.C.; Kerkamm, I.; Gesing, T.M.; Gurris, C. Synthesis and crystal structure of cyanate sodalite (Na8 (O C N)2) (Al6S i6 O24) Microporous and Mesoporous Materials 65 (2003) 145-153 Space group: P -4 3 n Cell volume: 721.517 Cell parameters: 8.9691; 8.9691; 8.9691; 90; 90; 90;

COD ID: 1535647
CIF file	Formula: - C2 Al6 N2 Na8 O26 Si6 - Comments: Buhl, J.C.; Gesing, T.M.; Kerkamm, I.; Gurris, C. Synthesis and crystal structure of cyanate sodalite (Na8 (O C N)2) (Al6S i6 O24) Microporous and Mesoporous Materials 65 (2003) 145-153 Space group: P -4 3 n Cell volume: 727.349 Cell parameters: 8.9932; 8.9932; 8.9932; 90; 90; 90;

COD ID: 1536002

Formula: - As4 Ba4 Si -
Comments: Eisenmann, B.; Jordan, H.; Schaefer, H. Zintlphasen mit isolierten Si As4 - bzw. Ge As4 - Anionen: Darstellung und Struktur von Ba4 Si As4 und Ba4 Ge As4 sowie Sr4 Si As4 und Sr4 Ge As4 Zeitschrift fuer Anorganische und Allgemeine Chemie 475 (1981) 74-80
Space group: P -4 3 n
Cell volume: 2356.35
Cell parameters: 13.307; 13.307; 13.307; 90; 90; 90;

COD ID: 1536005

Formula: - As4 Ba4 Ge -
Comments: Eisenmann, B.; Jordan, H.; Schaefer, H. Zintlphasen mit isolierten Si As4 - bzw. Ge As4 - Anionen: Darstellung und Struktur von Ba4 Si As4 und Ba4 Ge As4 sowie Sr4 Si As4 und Sr4 Ge As4 Zeitschrift fuer Anorganische und Allgemeine Chemie 475 (1981) 74-80
Space group: P -4 3 n
Cell volume: 2416.35
Cell parameters: 13.419; 13.419; 13.419; 90; 90; 90;

COD ID: 1536091

Formula: - Si38 Te16 -
Comments: Jaussaud, N.; Toulemonde, P.; Pechev, S.; Pouchard, M.; Gravereau, P.; San Miguel, A.; Goglio, G.; Cros, C. High pressure synthesis and crystal structure of two forms of a new tellurium-silicon clathrate related to the classical type I Solid State Sciences 6 (2004) 401-411
Space group: P -4 3 n
Cell volume: 1143.46
Cell parameters: 10.457; 10.457; 10.457; 90; 90; 90;

COD ID: 1536166
CIF file	Formula: - P4 Sr4 Ti - Comments: Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G. Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4 Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1879-1885 Space group: P -4 3 n Cell volume: 1995.62 Cell parameters: 12.59; 12.59; 12.59; 90; 90; 90;

COD ID: 1536169
CIF file	Formula: - As4 Sr4 Ti - Comments: Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G. Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4 Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1879-1885 Space group: P -4 3 n Cell volume: 2138.21 Cell parameters: 12.883; 12.883; 12.883; 90; 90; 90;

COD ID: 1536172
CIF file	Formula: - Ba4 P4 Ti - Comments: Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G. Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4 Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1879-1885 Space group: P -4 3 n Cell volume: 2282.24 Cell parameters: 13.166; 13.166; 13.166; 90; 90; 90;

COD ID: 1536175
CIF file	Formula: - As4 Ba4 Ti - Comments: Nuss, J.; Hoenle, W.; Peters, K.; von Schnering, H.G. Tetrapnictidotitanate(IV) M4TiX4 (M = Sr, Ba; X = P, As), hierarchische Derivate der KGe - Struktur K4Ge4 Zeitschrift fuer Anorganische und Allgemeine Chemie 622 (1996) 1879-1885 Space group: P -4 3 n Cell volume: 2443.47 Cell parameters: 13.469; 13.469; 13.469; 90; 90; 90;

COD ID: 1536203
CIF file	Formula: - H32 Na64 Nb48 O176 Si4 - Comments: Nyman, M.; Bonhomme, F.; Parise, J.B.; Vaughan, G.M.B.; Alam, T.M. [SiNb12O40]16- and [GeNb12O40]16-: Highly Charged Keggin Ions with Sticky Surfaces Angew. Chem. Int. ed. 43 (2004) 2787-2792 Space group: P -4 3 n Cell volume: 8638.47 Cell parameters: 20.5185; 20.5185; 20.5185; 90; 90; 90;

COD ID: 1536458
CIF file	Formula: - Al6 Ca1.8 H16 Na2.4 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 682.425 Cell parameters: 8.8041; 8.8041; 8.8041; 90; 90; 90;

COD ID: 1536461
CIF file	Formula: - Al6 Cs0.144 H16 Na5.856 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 692.168 Cell parameters: 8.8458; 8.8458; 8.8458; 90; 90; 90;

COD ID: 1536465
CIF file	Formula: - Al6 H16 Na6 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 697.557 Cell parameters: 8.8687; 8.8687; 8.8687; 90; 90; 90;

COD ID: 1536469
CIF file	Formula: - Al6 H16 Mg1.98 Na1.98 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 717.398 Cell parameters: 8.952; 8.952; 8.952; 90; 90; 90;

COD ID: 1536473
CIF file	Formula: - Al6 H16 K4.0002 Na1.9998 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 780.213 Cell parameters: 9.206; 9.206; 9.206; 90; 90; 90;

COD ID: 1536477
CIF file	Formula: - Al6 H16 K5.79 Na0.21 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 774.885 Cell parameters: 9.185; 9.185; 9.185; 90; 90; 90;

COD ID: 1536481
CIF file	Formula: - Al6 H16 Li2.274 Na3.726 O32 Si6 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 673.949 Cell parameters: 8.7675; 8.7675; 8.7675; 90; 90; 90;

COD ID: 1536484
CIF file	Formula: - Al6 H16 Na1.056 O32 Si6 Sr2.472 - Comments: Kendrick, E.; Dann, S. Synthesis properties and structure of ion exchanged hydrosodalite Journal of Solid State Chemistry 177 (2004) 1513-1519 Space group: P -4 3 n Cell volume: 726.33 Cell parameters: 8.989; 8.989; 8.989; 90; 90; 90;

COD ID: 1536812
CIF file	Formula: - Al6 Ca1.89 K1.39 Na4.4 O31.36 S1.84 Si6 - Comments: Evsyunin, V.G.; Sapozhnikov, A.N.; Rastsvetaeva, R.K.; Kashaev, A.A. Crystal structure of the potassium-rich hauyne from Arissia (Italy) Kristallografiya 41 (1996) 659-662 Space group: P -4 3 n Cell volume: 758.052 Cell parameters: 9.118; 9.118; 9.118; 90; 90; 90;

COD ID: 1537590
CIF file	Formula: - Al6 Ca2.28 K0.808 Na5.088 O26.744 S1.5 Si6 - Comments: Loehn, J.; Schulz, H. Strukturverfeinerung am gestoerten Hauyn, (Na5 K1 Ca2) Al6 S I6 O24 (S O4)1.5 Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 109 (1968) 201-210 Space group: P -4 3 n Cell volume: 757.553 Cell parameters: 9.116; 9.116; 9.116; 90; 90; 90;

COD ID: 1538614
CIF file	Formula: - Li7 N4 Ni - Comments: Juza, R.; Anschutz, E.; Puff, H. Die Struktur von Li7 V N4 und Li7 Mn N4 Angewandte Chemie (German Edition) 71 (1959) 161-161 Space group: P -4 3 n Cell volume: 876.742 Cell parameters: 9.571; 9.571; 9.571; 90; 90; 90;

COD ID: 1541191
CIF file	Formula: - Cs F16 I3 - Comments: Mahjoub, A.R.; Hoser, A.; Fuchs, J.; Seppelt, K. Die Struktur von Br F6(-) und verwandten Verbindungen Angewandte Chemie (German Edition) 101 (1989) 1528-1529 Space group: P -4 3 n Cell volume: 2622.36 Cell parameters: 13.79; 13.79; 13.79; 90; 90; 90;

COD ID: 1541308
CIF file	Formula: - Ga5.33 H15.3 Na6.03 O32 Si6.67 - Comments: Newsam, J.M.; Jorgensen, J.D. Gallosilicate sodalite - further syntheses and structural details Zeolites 7 (1987) 569-573 Space group: P -4 3 n Cell volume: 692.567 Cell parameters: 8.8475; 8.8475; 8.8475; 90; 90; 90;

COD ID: 1546523
CIF file	Formula: - Al6 N2 Na8 O28 Si6 - Comments: Kempa, P. B.; Engelhardt, G.; Buhl, J. Ch.; Felsche, J.; Harvey, G.; Baerlocher, Ch. X-ray powder diffraction crystal structure analysis and 29Si, 23Na MAS N.M.R. studies of nitrite sodalite, Na8[AlSiO4]6(NO2)2, at 295K Zeolites 11 (1991) 558-562 Space group: P -4 3 n Cell volume: 712.12 Cell parameters: 8.93; 8.93; 8.93; 90; 90; 90;

COD ID: 1553696

Formula: - C42 H28 Cu2 N10 O8 -
Comments: Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture Materials Chemistry Frontiers 2(1) (2018) 129
Space group: P -4 3 n
Cell volume: 21227.9
Cell parameters: 27.6887; 27.6887; 27.6887; 90; 90; 90;

COD ID: 1553697

Formula: - C42 H28 N10 O8 Zn2 -
Comments: Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture Materials Chemistry Frontiers 2(1) (2018) 129
Space group: P -4 3 n
Cell volume: 22199.7
Cell parameters: 28.1049; 28.1049; 28.1049; 90; 90; 90;

COD ID: 1558901
CIF file	Formula: - C48 H20 Fe6 N6 O32 - Comments: Gopalsamy, Karuppasamy; Babarao, Ravichandar Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study Industrial & Engineering Chemistry Research 59(35) (2020) 15718-15731 Space group: P -4 3 n Cell volume: 10599 Cell parameters: 21.966; 21.966; 21.966; 90; 90; 90;

COD ID: 1559967
CIF file	Formula: - C18 H24 Cl2 Mn N6 O8 - Comments: Hodgson, Derek J.; Michelsen, Kirsten; Pedersen, Erik Synthesis and Characterization of Tris(2-pyridylmethylamine)manganese(II) Perchlorate and its Zinc(II) Analogue Acta Chemica Scandinavica 44 (1990) 1002-1005 Space group: P -4 3 n Cell volume: 5032.7 Cell parameters: 17.137; 17.137; 17.137; 90; 90; 90;

COD ID: 1565043

Formula: - C16 H20 Ag B N8 -
Comments: Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry Chemical Science (2021)
Space group: P -4 3 n
Cell volume: 4628.99
Cell parameters: 16.6659; 16.6659; 16.6659; 90; 90; 90;

COD ID: 1567267

Formula: - C12 H36 Mo4 N24 Te4 Zn3 -
Comments: Kalinina, I. V.; Pervukhina, N. V.; Podberezskaya, N. V.; Fedin, V. P. Cubane Tellurido Clusters [Zn(NH3)4]3[Mo4Te4(CN)12] and [Cd(NH3)4]3[W4Te4(CN)12]: Syntheses and Crystal Structures Russian Journal of Coordination Chemistry 28(6) (2002) 389-393
Space group: P -4 3 n
Cell volume: 2058.6
Cell parameters: 12.721; 12.721; 12.721; 90; 90; 90;

COD ID: 1567268

Formula: - C12 H36 Cd3 N24 Te4 W4 -
Comments: Kalinina, I. V.; Pervukhina, N. V.; Podberezskaya, N. V.; Fedin, V. P. Cubane Tellurido Clusters [Zn(NH3)4]3[Mo4Te4(CN)12] and [Cd(NH3)4]3[W4Te4(CN)12]: Syntheses and Crystal Structures Russian Journal of Coordination Chemistry 28(6) (2002) 389-393
Space group: P -4 3 n
Cell volume: 2101.6
Cell parameters: 12.809; 12.809; 12.809; 90; 90; 90;

COD ID: 1568387

Formula: - Cu26 Ge6 S32 V2 -
Comments: Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E. 'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network' Advanced Energy Materials 9(6) (2019) 1803249-1803249
Space group: P -4 3 n
Cell volume: 1186.03
Cell parameters: 10.58518; 10.58518; 10.58518; 90; 90; 90;

COD ID: 1568388

Formula: - Cr2 Cu26 Ge6 S32 -
Comments: Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E. 'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network' Advanced Energy Materials 9(6) (2019) 1803249-1803249
Space group: P -4 3 n
Cell volume: 1175.03
Cell parameters: 10.55237; 10.55237; 10.55237; 90; 90; 90;

COD ID: 1568389

Formula: - Cu26 Ge6 Mo2 S32 -
Comments: Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E. 'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network' Advanced Energy Materials 9(6) (2019) 1803249-1803249
Space group: P -4 3 n
Cell volume: 1190.17
Cell parameters: 10.59748; 10.59748; 10.59748; 90; 90; 90;

COD ID: 1568390

Formula: - Cu26 Ge6 S32 W2 -
Comments: Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E. 'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network' Advanced Energy Materials 9(6) (2019) 1803249-1803249
Space group: P -4 3 n
Cell volume: 1194.32
Cell parameters: 10.6098; 10.6098; 10.6098; 90; 90; 90;

COD ID: 1572505
CIF file	Formula: - B6 Cl2 Li8 O24 Si6 - Comments: Arima, H.; Tezuka, N.; Ishijima, M.; Kanamura, K.; Kajihara, K. Lithium-ion-conducting glass-ceramics of a boron-containing alkali sodalite Li8B6Si6O24Cl2 Journal of the Ceramic Society of Japan 131 (2023) 291-297 Space group: P -4 3 n Cell volume: 490.348 Cell parameters: 7.8856; 7.8856; 7.8856; 90; 90; 90;

COD ID: 1572782

Formula: - C78 H111 N O12 P6 Pt3 -
Comments: Liu, Haifei; Guo, Chenxing; Huang, Yujuan; Zhou, Zilin; Jian, Shijin; Zhang, Zeyuan; Hou, Yali; Mu, Chaoqun; Zhang, Mingming Fusion of two homoleptic truncated tetrahedra into a heteroleptic truncated octahedron. Chemical science 15(35) (2024) 14352-14357
Space group: P -4 3 n
Cell volume: 24798
Cell parameters: 29.1614; 29.1614; 29.1614; 90; 90; 90;

COD ID: 2007911
CIF file Original IUCr paper	Formula: - C18 H29.3 Co O7.65 - Comments: Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C. Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Acta Crystallographica Section C 54(12) (1998) 1807-1809 Space group: P -4 3 n Cell volume: 4472.6 Cell parameters: 16.476; 16.476; 16.476; 90; 90; 90;

COD ID: 2009593
CIF file Original IUCr paper	Formula: - Be3 Cl Li4 O12 P3 - Comments: Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 471-473 Space group: P -4 3 n Cell volume: 517.18 Cell parameters: 8.0269; 8.0269; 8.0269; 90; 90; 90;

COD ID: 2009594
CIF file Original IUCr paper	Formula: - As3 Be3 Cl Li4 O12 - Comments: Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. Two lithium chloroberyllo(phosphate/arsenate) sodalites: Li~4~Cl(BePO~4~)~3~ and Li~4~Cl(BeAsO~4~)~3~ Acta Crystallographica Section C 50(4) (1994) 471-473 Space group: P -4 3 n Cell volume: 558.835 Cell parameters: 8.23685; 8.23685; 8.23685; 90; 90; 90;

COD ID: 2010771

Formula: - B H O2 -
Comments: Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen The monoclinic and cubic phases of metaboric acid (precise redeterminations) Acta Crystallographica Section C 56(3) (2000) 276-278
Space group: P -4 3 n
Cell volume: 700.49
Cell parameters: 8.8811; 8.8811; 8.8811; 90; 90; 90;

COD ID: 2020239
CIF file	Formula: - Al6 Cl2 Ge6 Na8 O24 - Comments: Fleet, M.E. Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I) Acta Crystallographica C (39,1983-) 45 (1989) 843-847 Space group: P -4 3 n Cell volume: 739.695 Cell parameters: 9.0438; 9.0438; 9.0438; 90; 90; 90;

COD ID: 2020240
CIF file	Formula: - Al6 Br2 Ge6 Na8 O24 - Comments: Fleet, M.E. Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I) Acta Crystallographica C (39,1983-) 45 (1989) 843-847 Space group: P -4 3 n Cell volume: 752.305 Cell parameters: 9.0949; 9.0949; 9.0949; 90; 90; 90;

COD ID: 2020241
CIF file	Formula: - Al6 Ge6 I2 Na8 O24 - Comments: Fleet, M.E. Structures of sodium alumino-germanate sodalites (Na8 (Al6 Ge6 O24) A2, A= Cl, Br, I) Acta Crystallographica C (39,1983-) 45 (1989) 843-847 Space group: P -4 3 n Cell volume: 772.484 Cell parameters: 9.1755; 9.1755; 9.1755; 90; 90; 90;

COD ID: 2101556
CIF file Original IUCr paper	Formula: - Al3 Cl Na4 O12 Si3 - Comments: McMullan, R. K.; Ghose, S.; Haga, N.; Schomaker, V. Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high temperatures by neutron diffraction Acta Crystallographica Section B 52(4) (1996) 616-627 Space group: P -4 3 n Cell volume: 700.7 Cell parameters: 8.882; 8.882; 8.882; 90; 90; 90;

COD ID: 2106404
CIF file	Formula: - Ag3 O4 P - Comments: Ng, H.N.; Faggiani, R.; Calvo, C. A new investigation of the structure of silver orthophosphate Acta Crystallographica B (24,1968-38,1982) 34 (1978) 898-899 Space group: P -4 3 n Cell volume: 216.432 Cell parameters: 6.004; 6.004; 6.004; 90; 90; 90;

COD ID: 2225554

Formula: - C56 H84 N12 Na Nd O20 P4 S4 -
Comments: Shatrava, Iuliia O.; Sliva, Tatyana Yu.; Ovchynnikov, Vladimir A.; Konovalova, Irina S.; Amirkhanov, Vladimir M. catena-Poly[neodymium(III)-bis[μ-N-(dimorpholinophosphoryl)benzenesulfonamidato]-sodium(I)-bis[μ-N-(dimorpholinophosphoryl)benzenesulfonamidato]] Acta Crystallographica Section E 66(4) (2010) m397-m398
Space group: P -4 3 n
Cell volume: 12077
Cell parameters: 22.943; 22.943; 22.943; 90; 90; 90;

COD ID: 2228446

Formula: - C16 H36 O4 Tl4 -
Comments: Blasberg, Florian; Lerner, Hans-Wolfram; Bolte, Michael Tetra-μ~3~-tert-butanolato-tetrathallium(I) Acta Crystallographica Section E 66(12) (2010) m1621
Space group: P -4 3 n
Cell volume: 5044.2
Cell parameters: 17.15; 17.15; 17.15; 90; 90; 90;

COD ID: 2231961

Formula: - C64 H40 F40 O8 Zn8 -
Comments: Franz, Daniel; Lerner, Hans-Wolfram; Bolte, Michael Tetrakis(diethyl ether)tetra-μ~4~-oxido-octakis(pentafluorophenyl)octazinc Acta Crystallographica Section E 67(10) (2011) m1395
Space group: P -4 3 n
Cell volume: 12969.3
Cell parameters: 23.4948; 23.4948; 23.4948; 90; 90; 90;

COD ID: 4001048
CIF file	Formula: - C20 H28 B Li N8 - Comments: Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks Chemistry of Materials 21(16) (2009) 3830 Space group: P -4 3 n Cell volume: 4341.76 Cell parameters: 16.3138; 16.3138; 16.3138; 90; 90; 90;

COD ID: 4001707
CIF file	Formula: - C72 H48 Cu12 I12 N12 O29 Zn8 - Comments: Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes Chemistry of Materials 24(24) (2012) 4711 Space group: P -4 3 n Cell volume: 6764.14 Cell parameters: 18.912; 18.912; 18.912; 90; 90; 90;

COD ID: 4003301

Formula: - C24 H9 Fe3 N3 O16 -
Comments: Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study Chemistry of Materials 28(20) (2016) 7353
Space group: P -4 3 n
Cell volume: 10579
Cell parameters: 21.9524; 21.9524; 21.9524; 90; 90; 90;

COD ID: 4003302

Formula: - C24 H25.5 Br In3 N3 O21.25 -
Comments: Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study Chemistry of Materials 28(20) (2016) 7353
Space group: P -4 3 n
Cell volume: 11319.4
Cell parameters: 22.453; 22.453; 22.453; 90; 90; 90;

COD ID: 4003303

Formula: - C24 H15 Cl Fe3 N3 O16 -
Comments: Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study Chemistry of Materials 28(20) (2016) 7353
Space group: P -4 3 n
Cell volume: 10463.2
Cell parameters: 21.872; 21.872; 21.872; 90; 90; 90;

COD ID: 4003304

Formula: - C24 H23.7 Cl In3 N3 O20.35 -
Comments: Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study Chemistry of Materials 28(20) (2016) 7353
Space group: P -4 3 n
Cell volume: 11325.4
Cell parameters: 22.457; 22.457; 22.457; 90; 90; 90;

COD ID: 4003902
CIF file	Formula: - Ga Li8.8 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1670.59 Cell parameters: 11.8656; 11.8656; 11.8656; 90; 90; 90;

COD ID: 4003903
CIF file	Formula: - Ga Li8.85 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1676.85 Cell parameters: 11.8804; 11.8804; 11.8804; 90; 90; 90;

COD ID: 4003904
CIF file	Formula: - Ga Li8.8 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1669.24 Cell parameters: 11.8624; 11.8624; 11.8624; 90; 90; 90;

COD ID: 4003905
CIF file	Formula: - Ga Li8.6 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1687.41 Cell parameters: 11.9053; 11.9053; 11.9053; 90; 90; 90;

COD ID: 4003906
CIF file	Formula: - Ga Li8.84 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1672.62 Cell parameters: 11.8704; 11.8704; 11.8704; 90; 90; 90;

COD ID: 4003907
CIF file	Formula: - Ga Li8.81 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1681.21 Cell parameters: 11.8907; 11.8907; 11.8907; 90; 90; 90;

COD ID: 4027820

Formula: - Ag3 Al3 O15 Si3 -
Comments: Schneider, A.M.; Mandar, H.; Felsche, J.; Behrens, P.; Engelhardt, G.; Eiden-Assmann, S. Silver hydrosodalite (Ag3 (H2 O)4)2 (Al3 Si3 O12)2: synthesis and structure determination by combination of X-ray refinement, thermogravimetry, FT-IR and (1)H-MAS NMR spectroscopy European Journal of Inorganic Chemistry 2001 (2001) 1527-1534
Space group: P -4 3 n
Cell volume: 716.917
Cell parameters: 8.95; 8.95; 8.95; 90; 90; 90;

COD ID: 4030251
CIF file	Formula: - Al6 Cl2 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 700.51 Cell parameters: 8.8812; 8.8812; 8.8812; 90; 90; 90;

COD ID: 4030252
CIF file	Formula: - Al6 Br0.57 Cl1.43 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 704.16 Cell parameters: 8.8966; 8.8966; 8.8966; 90; 90; 90;

COD ID: 4030253
CIF file	Formula: - Al6 Br0.98 Cl1.02 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 706.681 Cell parameters: 8.9072; 8.9072; 8.9072; 90; 90; 90;

COD ID: 4030254
CIF file	Formula: - Al6 Br1.74 Cl0.26 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 710.45 Cell parameters: 8.923; 8.923; 8.923; 90; 90; 90;

COD ID: 4030255
CIF file	Formula: - Al6 Br2 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 712.22 Cell parameters: 8.9304; 8.9304; 8.9304; 90; 90; 90;

COD ID: 4030256
CIF file	Formula: - Al6 Cl0.4 I1.6 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 732.75 Cell parameters: 9.0154; 9.0154; 9.0154; 90; 90; 90;

COD ID: 4030257
CIF file	Formula: - Al6 I2 Na8 O24 Si6 - Comments: Weller, M. T.; Wong, G. Mixed halide sodalites European Journal of Solid State and Inorganic Chemistry 26 (1989) 619-633 Space group: P -4 3 n Cell volume: 736.75 Cell parameters: 9.0318; 9.0318; 9.0318; 90; 90; 90;

COD ID: 4060071

Formula: - C24 H52 Ni4 O8 P4 -
Comments: Jens Langer; Helmar Görls; Reinald Fischer; Dirk Walther Organometallic Nickelamacrocycles of the Type [(R2R'P)Ni(C2H4COO)]n: Synthesis and Self-Assembly to Form Different Molecular Architectures Tuned by the Phosphine Organometallics 24 (2005) 272-279
Space group: P -4 3 n
Cell volume: 6804
Cell parameters: 18.9491; 18.9491; 18.9491; 90; 90; 90;

COD ID: 4081681
CIF file	Formula: - C28 H26 B F4 N3 O5 P Re - Comments: Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E. A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere Organometallics 32(19) (2013) 5530 Space group: P -4 3 n Cell volume: 19006.6 Cell parameters: 26.6871; 26.6871; 26.6871; 90; 90; 90;

COD ID: 4103666

Formula: - C144 H72 Mo6 O30 -
Comments: Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers Journal of the American Chemical Society 132 (2010) 17599-17610
Space group: P -4 3 n
Cell volume: 45171
Cell parameters: 35.614; 35.614; 35.614; 90; 90; 90;

COD ID: 4119061
CIF file	Formula: - Ag0.24 Al6 Br1.88 Na7.76 O24 Si6 - Comments: Ozin, G.A.; MacDonald, P.M.; Stucky, G.D.; Stein, A.; Jelinek, R. Silver, sodium halosodalites: class A sodalites Journal of the American Chemical Society 114 (1992) 5171-5186 Space group: P -4 3 n Cell volume: 711.859 Cell parameters: 8.9289; 8.9289; 8.9289; 90; 90; 90;

COD ID: 4120081

Formula: - C108 H146 Br12 Cl36 N12 O13 -
Comments: Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry Journal of the American Chemical Society 135 (2013) 10007-10010
Space group: P -4 3 n
Cell volume: 8402.7
Cell parameters: 20.3301; 20.3301; 20.3301; 90; 90; 90;

COD ID: 4124120
CIF file	Formula: - Be F2 - Comments: Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society 130 (2008) 11082-11087 Space group: P -4 3 n Cell volume: 620.596 Cell parameters: 8.529749; 8.529749; 8.529749; 90; 90; 90;

COD ID: 4124124
CIF file	Formula: - Be Cl2 - Comments: Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society 130 (2008) 11082-11087 Space group: P -4 3 n Cell volume: 954.295 Cell parameters: 9.845269; 9.845269; 9.845269; 90; 90; 90;

COD ID: 4127795
CIF file	Formula: - C6.67 H10 Ge0.67 N0.67 - Comments: Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars Phosphine-Stabilized Digermavinylidene. Journal of the American Chemical Society 141(8) (2019) 3424-3429 Space group: P -4 3 n Cell volume: 7454.9 Cell parameters: 19.535; 19.535; 19.535; 90; 90; 90;

COD ID: 4130054

Formula: - C24 H16 Ga Mg2 N3 O16 -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 10699.5
Cell parameters: 22.0354; 22.0354; 22.0354; 90; 90; 90;

COD ID: 4130055

Formula: - C24 H16 Co2 In N3 O16 -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 11085.5
Cell parameters: 22.2973; 22.2973; 22.2973; 90; 90; 90;

COD ID: 4130056

Formula: - C24 H16 In Mg2 N3 O16 -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 11097.2
Cell parameters: 22.3051; 22.3051; 22.3051; 90; 90; 90;

COD ID: 4130057

Formula: - C24 H16 In Mn2 N3 O16 -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 11345.7
Cell parameters: 22.4704; 22.4704; 22.4704; 90; 90; 90;

COD ID: 4130058

Formula: - C24 H16 In N3 Ni2 O16 -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 10816.2
Cell parameters: 22.1152; 22.1152; 22.1152; 90; 90; 90;

COD ID: 4130059

Formula: - C24 H16 Mg2 N3 O16 V -
Comments: Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks. Journal of the American Chemical Society 138(8) (2016) 2524-2527
Space group: P -4 3 n
Cell volume: 10603.3
Cell parameters: 21.9692; 21.9692; 21.9692; 90; 90; 90;

COD ID: 4132737

Formula: - C17 H36 Cl9 N Si3 -
Comments: Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias Exhaustively Trichlorosilylated C1 and C2 Building Blocks: Beyond the Müller-Rochow Direct Process. Journal of the American Chemical Society 140(30) (2018) 9696-9708
Space group: P -4 3 n
Cell volume: 6336.1
Cell parameters: 18.5044; 18.5044; 18.5044; 90; 90; 90;

COD ID: 4133316

Formula: - C216 H244 Cl4 Co4 F72 N76 O16 P12 -
Comments: Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J. Visualizing Kinetically Robust CoIII4L6 Assemblies in Vivo: SPECT Imaging of the Encapsulated [99mTc]TcO4- Anion. Journal of the American Chemical Society 140(49) (2018) 16877-16881
Space group: P -4 3 n
Cell volume: 10257.9
Cell parameters: 21.728; 21.728; 21.728; 90; 90; 90;

COD ID: 4135643

Formula: - Cu26 S32 Sn6 V2 -
Comments: Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society 140(6) (2018) 2186-2195
Space group: P -4 3 n
Cell volume: 1269.85
Cell parameters: 10.8289; 10.8289; 10.8289; 90; 90; 90;

COD ID: 4135644

Formula: - Cu26 S32 Sn6 V2 -
Comments: Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society 140(6) (2018) 2186-2195
Space group: P -4 3 n
Cell volume: 1249.26
Cell parameters: 10.77006; 10.77006; 10.77006; 90; 90; 90;

COD ID: 4301257

Formula: - C42 H33 Cu4 I N24 S6 -
Comments: Wei Wei; Mingyan Wu; Qiang Gao; Qingfu Zhang; Yougui Huang; Feilong Jiang; Maochun Hong A Novel Supramolecular Tetrahedron Assembled from Tetranuclear Copper(I) Cluster Molecules via Aryl Embrace Interactions Inorganic Chemistry 48 (2009) 420-422
Space group: P -4 3 n
Cell volume: 11336.9
Cell parameters: 22.4646; 22.4646; 22.4646; 90; 90; 90;

COD ID: 4301563

Formula: - C42 H66 N3 O3 P3 -
Comments: Ramaswamy Murugavel; Ganesan Prabusankar; Ashish Sharma; Raghavan B. Sunoj; Ray J. Butcher Conformational and Isomeric Preferences of Six-Membered Inorganic Heterocycles [EtNP(E)(OR)]3 (E = Lone Pair, O, S, or Se): A Synthetic, Spectroscopic, Structural, and Computational Study Inorganic Chemistry 48 (2009) 2048-2059
Space group: P -4 3 n
Cell volume: 10611.7
Cell parameters: 21.975; 21.975; 21.975; 90; 90; 90;

COD ID: 4305063

Formula: - C74 H75 Cl Mn10 N25 O24 -
Comments: Theocharis C. Stamatatos; Katye M. Poole; Khalil A. Abboud; Wolfgang Wernsdorfer; Ted A. O'Brien; George Christou High-Spin Mn4 and Mn10 Molecules: Large Spin Changes with Structure in Mixed-Valence MnII4MnIII6 Clusters with Azide and Alkoxide-Based Ligands Inorganic Chemistry 47 (2008) 5006-5021
Space group: P -4 3 n
Cell volume: 4531
Cell parameters: 16.5474; 16.5474; 16.5474; 90; 90; 90;

COD ID: 4305064

Formula: - C72 H72 Mn10 N30 O16 -
Comments: Theocharis C. Stamatatos; Katye M. Poole; Khalil A. Abboud; Wolfgang Wernsdorfer; Ted A. O'Brien; George Christou High-Spin Mn4 and Mn10 Molecules: Large Spin Changes with Structure in Mixed-Valence MnII4MnIII6 Clusters with Azide and Alkoxide-Based Ligands Inorganic Chemistry 47 (2008) 5006-5021
Space group: P -4 3 n
Cell volume: 4338.8
Cell parameters: 16.3101; 16.3101; 16.3101; 90; 90; 90;

COD ID: 4305986

Formula: - C60 H84 Cu16 I17 N24 -
Comments: Jun He; Jing-Xiang Zhang; Chun-Kwan Tsang; Zhengtao Xu; Ye-Gao Yin; Dan Li; Ng, Seik Weng Mixed-Valence CuIICuI15I17 Cluster Builds up a 3D Metal-Organic Framework with Paramagnetic and Thermochromic Characteristics Inorganic Chemistry 47 (2008) 7948-7950
Space group: P -4 3 n
Cell volume: 5199.3
Cell parameters: 17.324; 17.324; 17.324; 90; 90; 90;

COD ID: 4316119

Formula: - C168 H96 B3 F72 Mn4 N12 O12 S12 -
Comments: Héctor Martínez-García; Dolores Morales; Julio Pérez; Marcos Puerto; Daniel Miguel 1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral Molybdenum, Manganese, and Rhenium Carbonyl Complexes and Copper and Silver Dimers. Copper-Catalyzed Carbene- and Nitrene-Transfer Reactions Inorganic Chemistry 49 (2010) 6974-6985
Space group: P -4 3 n
Cell volume: 10215.5
Cell parameters: 21.698; 21.698; 21.698; 90; 90; 90;

COD ID: 4320309

Formula: - Li7 Mn N4 -
Comments: Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R. Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study Inorganic Chemistry 40(20) (2001) 5215-5222
Space group: P -4 3 n
Cell volume: 873.78
Cell parameters: 9.5602; 9.5602; 9.5602; 90; 90; 90;

COD ID: 4326946

Formula: - C30 H51 Cl F6 Fe N9 P -
Comments: Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors Inorganic Chemistry 50 (2011) 11303-11305
Space group: P -4 3 n
Cell volume: 8244
Cell parameters: 20.201; 20.201; 20.201; 90; 90; 90;

COD ID: 4332407
CIF file	Formula: - C24 H36 Ge8 N8 Pb8 - Comments: Eichler, Jack F.; Just, Oliver; Rees, William S. Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4 Inorganic Chemistry 45(17) (2006) 6706-6712 Space group: P -4 3 n Cell volume: 6056.6 Cell parameters: 18.2282; 18.2282; 18.2282; 90; 90; 90;

COD ID: 4344130
CIF file	Formula: - Li7 N4 V - Comments: Niewa, R.; Zherebtsov, D.; Hu, Z. Polymorphism of heptalithium nitridovanadate(V) Li7 (V N4) Inorganic Chemistry 42 (2003) 2538-2544 Space group: P -4 3 n Cell volume: 886.507 Cell parameters: 9.6064; 9.6064; 9.6064; 90; 90; 90;

COD ID: 4350818

Formula: - Cu22 S32 Sn10 -
Comments: Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Candolfi, C.; Prestipino, C.; Menut, D.; Malaman, B.; Juraszek, J.; Suekuni, K.; Guilmeau, E. Local-disorder-induced low thermal conductivity in degenerate semiconductor Cu22Sn10S32 Inorganic Chemistry 60(21) (2021) 16273-16285
Space group: P -4 3 n
Cell volume: 1267.94
Cell parameters: 10.82345; 10.82345; 10.82345; 90; 90; 90;

COD ID: 7002607

Formula: - C41 H122 Cl6 N12 Ni6 O24 -
Comments: Anderson, James C.; Blake, Alexander J.; Moreno, Rafael Bou; Raynel, Guillaume; van Slageren, Joris A novel tridentate coordination mode for the carbonatonickel system exhibited in an unusual hexanuclear nickel(ii) μ3-carbonato-bridged complex Dalton Transactions (issue 42) (2009) 9153
Space group: P -4 3 n
Cell volume: 17847.9
Cell parameters: 26.1334; 26.1334; 26.1334; 90; 90; 90;

COD ID: 7020147

Formula: - C46 H42 N3 O16 Zn2 -
Comments: Zhang, Lejie; Jian, Yuan; Wang, Jian; He, Cheng; Li, Xuezhao; Liu, Tao; Duan, Chunying Post-modification of a MOF through a fluorescent-labeling technology for the selective sensing and adsorption of Ag+ in aqueous solution. Dalton transactions (Cambridge, England : 2003) 41(34) (2012) 10153-10155
Space group: P -4 3 n
Cell volume: 21155
Cell parameters: 27.6571; 27.6571; 27.6571; 90; 90; 90;

COD ID: 7026959

Formula: - C418 H408 Ce8 N64 O77 -
Comments: Liu, Yang; Lin, Zhihua; He, Cheng; Zhao, Liang; Duan, Chunying A symmetry-controlled and face-driven approach for the assembly of cerium-based molecular polyhedra. Dalton transactions (Cambridge, England : 2003) 39(46) (2010) 11122-11125
Space group: P -4 3 n
Cell volume: 90711.3
Cell parameters: 44.9318; 44.9318; 44.9318; 90; 90; 90;

COD ID: 7031187

Formula: - C28 H52 Cu4 I4 N4 -
Comments: Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state. Dalton transactions (Cambridge, England : 2003) 43(25) (2014) 9448-9455
Space group: P -4 3 n
Cell volume: 7678.1
Cell parameters: 19.7281; 19.7281; 19.7281; 90; 90; 90;

COD ID: 7031189

Formula: - C28 H52 Cu4 I4 N4 O4 -
Comments: Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state. Dalton transactions (Cambridge, England : 2003) 43(25) (2014) 9448-9455
Space group: P -4 3 n
Cell volume: 7884.04
Cell parameters: 19.9029; 19.9029; 19.9029; 90; 90; 90;

COD ID: 7058151

Formula: - C124 H202 Mn13 N20 O104 -
Comments: Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions New Journal of Chemistry 43(10) (2019) 4226
Space group: P -4 3 n
Cell volume: 11458.2
Cell parameters: 22.5444; 22.5444; 22.5444; 90; 90; 90;

COD ID: 7100837
CIF file	Formula: - Al Cl Na O Si - Comments: M. Weller; J. A. Armstrong Structural Observation of Photochromism Chemical Communications (2006) Space group: P -4 3 n Cell volume: 701.318 Cell parameters: 8.88461; 8.88461; 8.88461; 90; 90; 90;

COD ID: 7102934

Formula: - C141 H156 F48 Fe4 N24 O15 P8 -
Comments: Glasson, Christopher R K; Meehan, George V; Clegg, Jack K; Lindoy, Leonard F; Turner, Peter; Duriska, Martin B; Willis, Rick A new FeII quaterpyridyl M4L6 tetrahedron exhibiting selective anion binding. Chemical communications (Cambridge, England) (issue 10) (2008) 1190-1192
Space group: P -4 3 n
Cell volume: 10465.4
Cell parameters: 21.8735; 21.8735; 21.8735; 90; 90; 90;

COD ID: 7102935

Formula: - C162 H172.2 B8 F32 Fe4 N27 O9.6 -
Comments: Glasson, Christopher R K; Meehan, George V; Clegg, Jack K; Lindoy, Leonard F; Turner, Peter; Duriska, Martin B; Willis, Rick A new FeII quaterpyridyl M4L6 tetrahedron exhibiting selective anion binding. Chemical communications (Cambridge, England) (issue 10) (2008) 1190-1192
Space group: P -4 3 n
Cell volume: 10654.1
Cell parameters: 22.0042; 22.0042; 22.0042; 90; 90; 90;

COD ID: 7104517

Formula: - C78 H72 I19 Mo12 O2 P3 S28 -
Comments: Falvello, Larry R; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian A three-dimensional adamantane-like nanoscopic cage built from four iodide-bridged triangular Mo3S7 cluster units. Chemical communications (Cambridge, England) 34(23) (2009) 3440-3442
Space group: P -4 3 n
Cell volume: 6953
Cell parameters: 19.086; 19.086; 19.086; 90; 90; 90;

COD ID: 7106778
CIF file	Formula: - C168 H132 Cu3 F18 N12 O6 P3 - Comments: Karla I. Arias; Eli Zysman-Colman; Jon C. Loren; Anthony Linden; Jay S. Siegel Synthesis of a D3 Symmetric Trefoil Knotted Cyclophane Chem.Commun. 47 (2011) 9588 Space group: P -4 3 n Cell volume: 38379.2 Cell parameters: 33.7312; 33.7312; 33.7312; 90; 90; 90;

COD ID: 7113331
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Armstrong, Jennifer A.; Weller, Mark T. Structural observation of photochromism. Chemical communications (Cambridge, England) (issue 10) (2006) 1094-1096 Space group: P -4 3 n Cell volume: 701.318 Cell parameters: 8.88461; 8.88461; 8.88461; 90; 90; 90;

COD ID: 7114460
CIF file	Formula: - C21 H15 N O6 - Comments: Field, Jason E.; Combariza, Marianny Y.; Vachet, Richard W.; Venkataraman, D. Spontaneous assembly of a hydrogen-bonded tetrahedron Chemical Communications (issue 19) (2002) 2260 Space group: P -4 3 n Cell volume: 3986.25 Cell parameters: 15.8558; 15.8558; 15.8558; 90; 90; 90;

COD ID: 7116907

Formula: - C64 H82 N8 S8 -
Comments: Yunus Zorlu; Ufuk Kumru; Umit Isci; Burcin Divrik; Erwann Jeanneau; Florian Albrieux; Yavuz Dede; Vefa Ahsen; Fabienne Dumoulin 1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties Chem.Commun. 51 (2015) 6580
Space group: P -4 3 n
Cell volume: 11576.5
Cell parameters: 22.6217; 22.6217; 22.6217; 90; 90; 90;

COD ID: 7117486

Formula: - C76 H92 Cu4 N8 S -
Comments: Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Mankad, Neal P. A Cu4S model for the nitrous oxide reductase active sites supported only by nitrogen ligands Chemical Communications (Cambridge, United Kingdom) 51(59) (2015) 11860-11863
Space group: P -4 3 n
Cell volume: 10391
Cell parameters: 21.82156; 21.82156; 21.82156; 90; 90; 90;

COD ID: 7123249
CIF file	Formula: - C158 H188 Br16 Co8 N38 O15 - Comments: Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages Chemical Communications (2019) Space group: P -4 3 n Cell volume: 9992.1 Cell parameters: 21.5387; 21.5387; 21.5387; 90; 90; 90;

COD ID: 7123250
CIF file	Formula: - C154 H193 Br4 Co8 F12 N37 O21 - Comments: Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages Chemical Communications (2019) Space group: P -4 3 n Cell volume: 9375.24 Cell parameters: 21.086; 21.086; 21.086; 90; 90; 90;

COD ID: 7124223

Formula: - C48 H29.64 Fe6 N6 O31.82 -
Comments: Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework Chemical Communications (2019)
Space group: P -4 3 n
Cell volume: 10559.5
Cell parameters: 21.9389; 21.9389; 21.9389; 90; 90; 90;

COD ID: 7124224

Formula: - C48 H30 Fe6 N6 O32 -
Comments: Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework Chemical Communications (2019)
Space group: P -4 3 n
Cell volume: 10623.9
Cell parameters: 21.9834; 21.9834; 21.9834; 90; 90; 90;

COD ID: 7127891

Formula: - C24 H72 Na4 O57 Ru4 S12 W12 -
Comments: Wan, Rong; Liu, Zhen; Ma, Xinyi; Li, Huafeng; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping Discovery of two Na+-centered Silverton-type polyoxometalates {NaM12O42} (M = Mo, W). Chemical communications (Cambridge, England) 57(17) (2021) 2172-2175
Space group: P -4 3 n
Cell volume: 5787.3
Cell parameters: 17.9539; 17.9539; 17.9539; 90; 90; 90;

COD ID: 7133778
CIF file	Formula: - C309 H377 Cu6 N35 O83 - Comments: Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold Topological control in paddlewheel metal-organic cages via ligand length variation Chemical Communications (2024) Space group: P -4 3 n Cell volume: 69823 Cell parameters: 41.178; 41.178; 41.178; 90; 90; 90;

COD ID: 7220117

Formula: - C39 H72 N3 Ni4 O25 -
Comments: Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions RSC Adv. (2015)
Space group: P -4 3 n
Cell volume: 12895.2
Cell parameters: 23.45; 23.45; 23.45; 90; 90; 90;

COD ID: 7221262
CIF file	Formula: - Al9 Ge14 Na4 - Comments: Westerhaus, W.; Schuster, H.U. Darstellung und Struktur weiterer ternaerer Phasen mit modifizierter K8 Ge46 - Kaefigstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1365-1367 Space group: P -4 3 n Cell volume: 1226.42 Cell parameters: 10.704; 10.704; 10.704; 90; 90; 90;

COD ID: 7221263
CIF file	Formula: - Al23.3 Ge22.7 K8 - Comments: Westerhaus, W.; Schuster, H.U. Darstellung und Struktur weiterer ternaerer Phasen mit modifizierter K8 Ge46 - Kaefigstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1365-1367 Space group: P -4 3 n Cell volume: 1261.11 Cell parameters: 10.804; 10.804; 10.804; 90; 90; 90;

COD ID: 7221355
CIF file	Formula: - Cl4 Se - Comments: Kniep, R.; Korte, L.; Mootz, D. Crystal structure of the stable modification of Se Cl4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36 (1981) 1660-1662 Space group: P -4 3 n Cell volume: 4437.62 Cell parameters: 16.433; 16.433; 16.433; 90; 90; 90;

COD ID: 7222413
CIF file	Formula: - Be6 Fe8 O24 S2 Si6 - Comments: Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F. Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te) Journal of Materials Chemistry 13 (2003) 1229-1233 Space group: P -4 3 n Cell volume: 551.933 Cell parameters: 8.2028; 8.2028; 8.2028; 90; 90; 90;

COD ID: 7222414
CIF file	Formula: - Be6 Fe8 O24 Se2 Si6 - Comments: Armstrong, J.A.; Dann, S.E.; Marco, J.F.; Neumann, K. Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te) Journal of Materials Chemistry 13 (2003) 1229-1233 Space group: P -4 3 n Cell volume: 568.445 Cell parameters: 8.2838; 8.2838; 8.2838; 90; 90; 90;

COD ID: 7222415
CIF file	Formula: - Be6 Fe8 O24 Si6 Te2 - Comments: Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F. Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te) Journal of Materials Chemistry 13 (2003) 1229-1233 Space group: P -4 3 n Cell volume: 586.061 Cell parameters: 8.3685; 8.3685; 8.3685; 90; 90; 90;

COD ID: 7222685

Formula: - Ag3 As O4 -
Comments: Weil, M. Investigations in the systems Ag - Hg - X - O (X = As(V), Se(IV), Se(VI)): hydrothermal single crystal growth of Ag3 As O4, Ag Hg(I)2 As O4, Ag Hg(II) As O4, Ag2 Se O4 and the crystal structure of Ag2 Hg(II) (Se O3)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 58 (2003) 1091-1096
Space group: P -4 3 n
Cell volume: 231.374
Cell parameters: 6.1391; 6.1391; 6.1391; 90; 90; 90;

COD ID: 7236389

Formula: - C24 H17 Al3 N3 O17.5 -
Comments: Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant M.; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy J.; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed Metal‒organic frameworks to satisfy gas upgrading demands: fine-tuning thesoc-MOF platform for the operative removal of H2S Journal of Materials Chemistry A 5(7) (2017) 3293
Space group: P -4 3 n
Cell volume: 9929.2
Cell parameters: 21.4934; 21.4934; 21.4934; 90; 90; 90;

COD ID: 7708274

Formula: - Co8 Ge26.07 Yb5.85 -
Comments: Feig, Manuel; Akselrud, Lev; Motylenko, Mykhaylo; Bobnar, Matej; Wagler, Jörg; Kvashnina, Kristina O.; Levytskyi, Volodymyr; Rafaja, David; Leithe-Jasper, Andreas; Gumeniuk, Roman Valence fluctuations in the 3D + 3 modulated Yb3Co4Ge13 Remeika phase Dalton Transactions (2021)
Space group: P -4 3 n
Cell volume: 663.803
Cell parameters: 8.72328; 8.72328; 8.72328; 90; 90; 90;

COD ID: 7713203

Formula: - C20.98 H18.31 Ge0.33 Ni0.33 P -
Comments: Barrios-Vargas, Luz Jimena; Abeynayake, Niroshani Samitri; Secrist, Carlee; Le, Nghia; Webster, Charles Edwin; Donnadieu, Bruno; Kaphan, David M.; Roy, Amitava; Ibarra, Ilich A.; Montiel-Palma, Virginia Homogeneous versus MOF-supported catalysis: A direct comparison of catalytic hydroboration at Ni tripodal P3E (E = Si, Ge) complexes Dalton Transactions (2023)
Space group: P -4 3 n
Cell volume: 10342
Cell parameters: 21.7872; 21.7872; 21.7872; 90; 90; 90;

COD ID: 7713204

Formula: - C20.5 H17.5 Ni0.33 P Si0.33 -
Comments: Barrios-Vargas, Luz Jimena; Abeynayake, Niroshani Samitri; Secrist, Carlee; Le, Nghia; Webster, Charles Edwin; Donnadieu, Bruno; Kaphan, David M.; Roy, Amitava; Ibarra, Ilich A.; Montiel-Palma, Virginia Homogeneous versus MOF-supported catalysis: A direct comparison of catalytic hydroboration at Ni tripodal P3E (E = Si, Ge) complexes Dalton Transactions (2023)
Space group: P -4 3 n
Cell volume: 10305.6
Cell parameters: 21.7616; 21.7616; 21.7616; 90; 90; 90;

COD ID: 7715026

Formula: - C19 H14 Ag0.67 N4.33 O1.17 -
Comments: Wang, Yu-Jie; Qiu, Zhao-Feng; Zhang, Ya; Wang, Fang-Fang; Zhao, Yue; Sun, Wei-Yin Silver frameworks based on a tetraphenylethylene-imidazole ligand for electrocatalytic reduction of CO2 to CO. Dalton transactions (Cambridge, England : 2003) 53(8) (2024) 3685-3689
Space group: P -4 3 n
Cell volume: 5136.7
Cell parameters: 17.2542; 17.2542; 17.2542; 90; 90; 90;

COD ID: 8100404
CIF file	Formula: - C2 Al6 N2 Na16 O24 Si6 - Comments: Gesing, Thorsten M.; Buhl, J.-C. Crystal structure of sodium alumosilicate cyanide, Na~8~[AlSiO~4~]~6~(CN)~2~ Zeitschrift für Kristallographie - New Crystal Structures 218(3) (2003) 275-275 Space group: P -4 3 n Cell volume: 709.546 Cell parameters: 8.91922; 8.91922; 8.91922; 90; 90; 90;

COD ID: 8100810
CIF file	Formula: - Rb4 S4 Sn - Comments: Klepp, O. Kurt; Fabian, Ferdinand Crystal structure of tetrarubidium tetrathiostannate(IV), Rb~4~SnS~4~ Zeitschrift für Kristallographie - New Crystal Structures 217(4) (2002) 475-476 Space group: P -4 3 n Cell volume: 2434.4 Cell parameters: 13.4524; 13.4524; 13.4524; 90; 90; 90;

COD ID: 8100897
CIF file	Formula: - Cs4 Si Te4 - Comments: Schlirf, Jens; Deiseroth, Hans Jörg Crystal structure of cesium ortho-tellurosilicate, Cs~4~SiTe~4~ Zeitschrift für Kristallographie - New Crystal Structures 216(1) (2001) 25-26 Space group: P -4 3 n Cell volume: 3430 Cell parameters: 15.081; 15.081; 15.081; 90; 90; 90;

COD ID: 8101313
CIF file	Formula: - Cs4 Se4 Si - Comments: Schlirf, Jens; Deiseroth, Hans Jörg; Nilges, Tom Crystal structure of cesium ortho-selenosilicate, Cs~4~SiSe~4~ Zeitschrift für Kristallographie - New Crystal Structures 215(3) (2000) 343-344 Space group: P -4 3 n Cell volume: 2831.3 Cell parameters: 14.147; 14.147; 14.147; 90; 90; 90;

COD ID: 8102917

Formula: - Ge4 K4 -
Comments: H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 324-326
Space group: P -4 3 n
Cell volume: 2089.3
Cell parameters: 12.784; 12.784; 12.784; 90; 90; 90;

COD ID: 8102918

Formula: - Ge4 Rb4 -
Comments: H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 324-326
Space group: P -4 3 n
Cell volume: 2298.9
Cell parameters: 13.198; 13.198; 13.198; 90; 90; 90;

COD ID: 8102919

Formula: - Cs4 Ge4 -
Comments: H. G. von Schnering; J. Llanos; J.-H. Chang; K. Peters; E.-M. Peters; R. Nesper Refinement of the crystal structures of the tetrahedro-tetragermanides K~4~Ge~4~, Rb~4~Ge~4~ and Cs~4~Ge~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(3) (2005) 324-326
Space group: P -4 3 n
Cell volume: 2545.5
Cell parameters: 13.654; 13.654; 13.654; 90; 90; 90;

COD ID: 8102921

Formula: - K4 Si4 -
Comments: von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R. Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(4) (2005) 525-527
Space group: P -4 3 n
Cell volume: 2009.9
Cell parameters: 12.62; 12.62; 12.62; 90; 90; 90;

COD ID: 8102922

Formula: - Rb4 Si4 -
Comments: von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R. Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(4) (2005) 525-527
Space group: P -4 3 n
Cell volume: 2218.4
Cell parameters: 13.042; 13.042; 13.042; 90; 90; 90;

COD ID: 8102923

Formula: - Cs4 Si4 -
Comments: von Schnering, H. G.; Schwarz, M.; Chang, J.-H.; Peters, K.; Peters, E.-M.; Nesper, R. Refinement of the crystal structures of the tetrahedro-tetrasilicides K~4~Si~4~, Rb~4~Si~4~ and Cs~4~Si~4~ Zeitschrift für Kristallographie - New Crystal Structures 220(4) (2005) 525-527
Space group: P -4 3 n
Cell volume: 2465.8
Cell parameters: 13.51; 13.51; 13.51; 90; 90; 90;

COD ID: 8103834

Formula: - Al6 N2 Na8 O30 Si6 -
Comments: Ruescher, C.H.; Buhl, J.C.; Gesing, T.M. Anomalous thermal expansion behaviour of Na8 (Al Si O4)6 (N O3)2 - sodalite: P4-3n to Pm3-n phase transition by untilting and contraction of T O4 units Zeitschrift fuer Kristallographie (149,1979-) 218 (2003) 332-344
Space group: P -4 3 n
Cell volume: 722.942
Cell parameters: 8.975; 8.975; 8.975; 90; 90; 90;

COD ID: 8103845
CIF file	Formula: - C1.58 H9.04 Al6 Na7.66 O32.76 Si6 - Comments: Gesing, T.M.; Buhl, J.C. Structure and spectroscopic properties of hydrogencarbonate containing alumosilicate sodalite and cancrinite Zeitschrift fuer Kristallographie (149,1979-) 215 (2000) 413-418 Space group: P -4 3 n Cell volume: 737.538 Cell parameters: 9.035; 9.035; 9.035; 90; 90; 90;

COD ID: 9000940
CIF file	Formula: - Cu13 Fe2 Ge2 S16 - Comments: Tettenhorst, R. T.; Corbato, C. E. Crystal structure of germanite, Cu26Ge4Fe4S32, determined by powder X-ray diffraction American Mineralogist 69 (1984) 943-947 Space group: P -4 3 n Cell volume: 1186.37 Cell parameters: 10.5862; 10.5862; 10.5862; 90; 90; 90;

COD ID: 9000950
CIF file	Formula: - Be3 O12 S Si3 Zn4 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 533.214 Cell parameters: 8.109; 8.109; 8.109; 90; 90; 90;

COD ID: 9000951
CIF file	Formula: - Be3 O12 S Si3 Zn4 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 541.144 Cell parameters: 8.149; 8.149; 8.149; 90; 90; 90;

COD ID: 9000952
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 555.007 Cell parameters: 8.218; 8.218; 8.218; 90; 90; 90;

COD ID: 9000953
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 557.848 Cell parameters: 8.232; 8.232; 8.232; 90; 90; 90;

COD ID: 9000954
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 558.662 Cell parameters: 8.236; 8.236; 8.236; 90; 90; 90;

COD ID: 9000955
CIF file	Formula: - Be3 Mn3.88 O12 S Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structures of helvite group minerals, (MnFeZn)8(Be6Si6O24)S2 American Mineralogist 70 (1985) 186-192 Space group: P -4 3 n Cell volume: 569.929 Cell parameters: 8.291; 8.291; 8.291; 90; 90; 90;

COD ID: 9001619
CIF file	Formula: - As1.92 Cu13 S16 Sn1.08 V - Comments: Spry, P. G.; Merlino, S.; Wang, S.; Zhang, X.; Buseck, P. R. New occurrences and refined crystal chemistry of colusite, with comparisons to arsenosulvanite Sample: Sn-rich, crystal 2 American Mineralogist 79 (1994) 750-762 Space group: P -4 3 n Cell volume: 1198.11 Cell parameters: 10.621; 10.621; 10.621; 90; 90; 90;

COD ID: 9001620
CIF file	Formula: - As3 Cu11.94 S16 V - Comments: Spry, P. G.; Merlino, S.; Wang, S.; Zhang, X.; Buseck, P. R. New occurrences and refined crystal chemistry of colusite, with comparisons to arsenosulvanite Sample: Sn-poor, crystal 1 American Mineralogist 79 (1994) 750-762 Space group: P -4 3 n Cell volume: 1170.24 Cell parameters: 10.538; 10.538; 10.538; 90; 90; 90;

COD ID: 9003318
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 28 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 701.875 Cell parameters: 8.88696; 8.88696; 8.88696; 90; 90; 90;

COD ID: 9003319
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 43 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 701.858 Cell parameters: 8.88689; 8.88689; 8.88689; 90; 90; 90;

COD ID: 9003320
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 58 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 702.24 Cell parameters: 8.8885; 8.8885; 8.8885; 90; 90; 90;

COD ID: 9003321
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 104 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 703.876 Cell parameters: 8.8954; 8.8954; 8.8954; 90; 90; 90;

COD ID: 9003322
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 164 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 705.375 Cell parameters: 8.90171; 8.90171; 8.90171; 90; 90; 90;

COD ID: 9003323
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 270 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 708.356 Cell parameters: 8.91423; 8.91423; 8.91423; 90; 90; 90;

COD ID: 9003324
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 376 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 711.601 Cell parameters: 8.92782; 8.92782; 8.92782; 90; 90; 90;

COD ID: 9003325
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 482 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 714.941 Cell parameters: 8.94177; 8.94177; 8.94177; 90; 90; 90;

COD ID: 9003326
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 588 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 719.234 Cell parameters: 8.95963; 8.95963; 8.95963; 90; 90; 90;

COD ID: 9003327
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 694 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 722.765 Cell parameters: 8.97427; 8.97427; 8.97427; 90; 90; 90;

COD ID: 9003328
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 800 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 726.58 Cell parameters: 8.99003; 8.99003; 8.99003; 90; 90; 90;

COD ID: 9003329
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 906 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 732.132 Cell parameters: 9.01287; 9.01287; 9.01287; 90; 90; 90;

COD ID: 9003330
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 967 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 734.784 Cell parameters: 9.02374; 9.02374; 9.02374; 90; 90; 90;

COD ID: 9003331
CIF file	Formula: - Al3 Cl Na4 O12 Si3 - Comments: Hassan, I.; Antao, S. M.; Parise, J. B. Sodalite: High-temperature structures obtained from synchrotron radiation and Rietveld refinements Sample: T = 982 C American Mineralogist 89 (2004) 359-364 Space group: P -4 3 n Cell volume: 735.698 Cell parameters: 9.02748; 9.02748; 9.02748; 90; 90; 90;

COD ID: 9004168
CIF file	Formula: - Al3 Cl Fe0.04 Na3.76 O12 Si3 - Comments: Peterson, R. C. The structure of hackmanite, a variety of sodalite, from Mont St-Hilaire, Quebec The Canadian Mineralogist 21 (1983) 549-552 Space group: P -4 3 n Cell volume: 699.518 Cell parameters: 8.877; 8.877; 8.877; 90; 90; 90;

COD ID: 9004198
CIF file	Formula: - Al3 H8 Na4.04 O14.44 S0.49 Si3 - Comments: Hassan, I.; Grundy, H. D. The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O Note: O2 z-coordinate has been corrected according to the ICSD The Canadian Mineralogist 27 (1989) 165-172 Space group: P -4 3 n Cell volume: 749.603 Cell parameters: 9.084; 9.084; 9.084; 90; 90; 90;

COD ID: 9004231
CIF file	Formula: - Al3 Ca3.6 K0.8 Na2.16 O21 S0.76 Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structure of hauyne at 293 and 153 K Sample: at T = 153 K The Canadian Mineralogist 29 (1991) 123-130 Space group: P -4 3 n Cell volume: 755.983 Cell parameters: 9.1097; 9.1097; 9.1097; 90; 90; 90;

COD ID: 9004232
CIF file	Formula: - Al3 Ca1.2 K0.8 Na2.16 O15 S0.76 Si3 - Comments: Hassan, I.; Grundy, H. D. The crystal structure of hauyne at 293 and 153 K Sample: at T = 293 K The Canadian Mineralogist 29 (1991) 123-130 Space group: P -4 3 n Cell volume: 757.653 Cell parameters: 9.1164; 9.1164; 9.1164; 90; 90; 90;

COD ID: 9004802

Formula: - Be3 Fe4 O12 S Si3 -
Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: SC20, single crystal data at T = 20 degrees C The Canadian Mineralogist 41 (2003) 1413-1422
Space group: P -4 3 n
Cell volume: 557.787
Cell parameters: 8.2317; 8.2317; 8.2317; 90; 90; 90;

COD ID: 9004803
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 33 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 557.978 Cell parameters: 8.23264; 8.23264; 8.23264; 90; 90; 90;

COD ID: 9004804
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 124 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 558.674 Cell parameters: 8.23606; 8.23606; 8.23606; 90; 90; 90;

COD ID: 9004805
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 142 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 558.768 Cell parameters: 8.23652; 8.23652; 8.23652; 90; 90; 90;

COD ID: 9004806
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 197 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 559.468 Cell parameters: 8.23996; 8.23996; 8.23996; 90; 90; 90;

COD ID: 9004807
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 252 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 559.855 Cell parameters: 8.24186; 8.24186; 8.24186; 90; 90; 90;

COD ID: 9004808
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 306 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 560.308 Cell parameters: 8.24408; 8.24408; 8.24408; 90; 90; 90;

COD ID: 9004809
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 343 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 560.785 Cell parameters: 8.24642; 8.24642; 8.24642; 90; 90; 90;

COD ID: 9004810
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 397 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 561.183 Cell parameters: 8.24837; 8.24837; 8.24837; 90; 90; 90;

COD ID: 9004811
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 452 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 561.753 Cell parameters: 8.25116; 8.25116; 8.25116; 90; 90; 90;

COD ID: 9004812
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 507 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 562.316 Cell parameters: 8.25392; 8.25392; 8.25392; 90; 90; 90;

COD ID: 9004813
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 543 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 562.425 Cell parameters: 8.25445; 8.25445; 8.25445; 90; 90; 90;

COD ID: 9004814
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 598 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 563.081 Cell parameters: 8.25766; 8.25766; 8.25766; 90; 90; 90;

COD ID: 9004815
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 652 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 563.578 Cell parameters: 8.26009; 8.26009; 8.26009; 90; 90; 90;

COD ID: 9004816
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 707 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 564.084 Cell parameters: 8.26256; 8.26256; 8.26256; 90; 90; 90;

COD ID: 9004817
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 744 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 564.258 Cell parameters: 8.26341; 8.26341; 8.26341; 90; 90; 90;

COD ID: 9004818
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 798 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 564.902 Cell parameters: 8.26655; 8.26655; 8.26655; 90; 90; 90;

COD ID: 9004819
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 853 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 565.328 Cell parameters: 8.26863; 8.26863; 8.26863; 90; 90; 90;

COD ID: 9004820
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 907 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 565.909 Cell parameters: 8.27146; 8.27146; 8.27146; 90; 90; 90;

COD ID: 9004821
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 944 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 566.303 Cell parameters: 8.27338; 8.27338; 8.27338; 90; 90; 90;

COD ID: 9004822
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 999 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 566.778 Cell parameters: 8.27569; 8.27569; 8.27569; 90; 90; 90;

COD ID: 9004823
CIF file	Formula: - Be3 Fe4 O12 S Si3 - Comments: Antao, S. M.; Hassan, I.; Parise, J. B. The structure of danalite at high temperature obtained from synchrotron radiation and Rietveld refinements Sample: T = 1035 degrees C The Canadian Mineralogist 41 (2003) 1413-1422 Space group: P -4 3 n Cell volume: 567.098 Cell parameters: 8.27725; 8.27725; 8.27725; 90; 90; 90;

COD ID: 9005050
CIF file	Formula: - Al O4 P - Comments: Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: X-ray refinement European Journal of Mineralogy 2 (1990) 787-798 Space group: P -4 3 n Cell volume: 739.671 Cell parameters: 9.0437; 9.0437; 9.0437; 90; 90; 90;

COD ID: 9005051

Formula: - Al O4 P -
Comments: Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 295 K European Journal of Mineralogy 2 (1990) 787-798
Space group: P -4 3 n
Cell volume: 742.471
Cell parameters: 9.0551; 9.0551; 9.0551; 90; 90; 90;

COD ID: 9005052

Formula: - Al O4 P -
Comments: Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 200 K European Journal of Mineralogy 2 (1990) 787-798
Space group: P -4 3 n
Cell volume: 738.126
Cell parameters: 9.0374; 9.0374; 9.0374; 90; 90; 90;

COD ID: 9005053

Formula: - Al O4 P -
Comments: Han, S.; Smith, J. V.; Pluth, J. J.; Richardson, J. W. Crystal structure of MAPO-20 sodalite: theoretical analysis of three-color ordering of Mg, Al and P in a sodalite unit Sample: Neutron refinement at T = 20 K European Journal of Mineralogy 2 (1990) 787-798
Space group: P -4 3 n
Cell volume: 727.592
Cell parameters: 8.9942; 8.9942; 8.9942; 90; 90; 90;

COD ID: 9005741
CIF file	Formula: - C0.15 Al3 Ca0.616 Cl0.47 K0.7 Na2.64 O13.986 S0.384 Si3 - Comments: Ballirano, P.; Maras, A. Crystal chemical and structural characterization of an unusual CO3-bearing sodalite-group mineral European Journal of Mineralogy 17 (2005) 805-812 Space group: P -4 3 n Cell volume: 737.587 Cell parameters: 9.0352; 9.0352; 9.0352; 90; 90; 90;

COD ID: 9008373
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Kudoh, Y.; Takeuchi, Y. The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 14 kbar Zeitschrift fur Kristallographie 173 (1985) 305-312 Space group: P -4 3 n Cell volume: 563.765 Cell parameters: 8.261; 8.261; 8.261; 90; 90; 90;

COD ID: 9008374
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Kudoh, Y.; Takeuchi, Y. The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 27 kbar Zeitschrift fur Kristallographie 173 (1985) 305-312 Space group: P -4 3 n Cell volume: 556.021 Cell parameters: 8.223; 8.223; 8.223; 90; 90; 90;

COD ID: 9008375
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Kudoh, Y.; Takeuchi, Y. The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 36 kbar Zeitschrift fur Kristallographie 173 (1985) 305-312 Space group: P -4 3 n Cell volume: 554.197 Cell parameters: 8.214; 8.214; 8.214; 90; 90; 90;

COD ID: 9008376
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Kudoh, Y.; Takeuchi, Y. The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 40 kbar Zeitschrift fur Kristallographie 173 (1985) 305-312 Space group: P -4 3 n Cell volume: 551.973 Cell parameters: 8.203; 8.203; 8.203; 90; 90; 90;

COD ID: 9008377
CIF file	Formula: - Be3 Mn4 O12 S Si3 - Comments: Kudoh, Y.; Takeuchi, Y. The effect of pressure on helvite Mn8S2[Be6Si6O24] Sample: P = 45 kbar Zeitschrift fur Kristallographie 173 (1985) 305-312 Space group: P -4 3 n Cell volume: 549.353 Cell parameters: 8.19; 8.19; 8.19; 90; 90; 90;

COD ID: 9011054
CIF file	Formula: - B H O2 - Comments: Zachariasen, W. H. The crystal structure of cubic metaboric acid Acta Crystallographica 16 (1963) 380-384 Space group: P -4 3 n Cell volume: 701.647 Cell parameters: 8.886; 8.886; 8.886; 90; 90; 90;

COD ID: 9011355
CIF file	Formula: - Al2.97 Ca0.8 Mg0.36 Na3.12 O15.12 S Si3.03 - Comments: Hassan, I.; Peterson, R. C.; Grundy, H. D. The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group Acta Crystallographica, Section C 41 (1985) 827-832 Space group: P -4 3 n Cell volume: 754.814 Cell parameters: 9.105; 9.105; 9.105; 90; 90; 90;

COD ID: 9011356
CIF file	Formula: - Al2.91 Ca0.6 Na3.48 O11.52 S Si3.09 - Comments: Hassan, I.; Peterson, R. C.; Grundy, H. D. The structure of lazurite, ideally Na6Ca2(Al6Si6O24)S2, a member of the sodalite group Acta Crystallographica, Section C 41 (1985) 827-832 Space group: P -4 3 n Cell volume: 742.201 Cell parameters: 9.054; 9.054; 9.054; 90; 90; 90;

COD ID: 9012688
CIF file	Formula: - As2.79 Cu12.55 S16 V1.11 - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 1 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1166.58 Cell parameters: 10.527; 10.527; 10.527; 90; 90; 90;

COD ID: 9012689
CIF file	Formula: - As2.1 Cu12.67 Ge0.6 S16 Sb0.24 Sn0.06 V0.9 - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 2 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1191.02 Cell parameters: 10.6; 10.6; 10.6; 90; 90; 90;

COD ID: 9012690
CIF file	Formula: - As1.8 Cu12.92 S16 Sb0.3 Sn0.9 V - Comments: Frank-Kamenetskaya O V; Rozhdestvenskaya, I. V.; Yanulova, L. A. New data on the crystal structures of colusites and arsenosulvanites Sample: 3 Journal of Structural Chemistry 43 (2002) 89-100 Space group: P -4 3 n Cell volume: 1208.97 Cell parameters: 10.653; 10.653; 10.653; 90; 90; 90;

COD ID: 9013320