Search results

Formula: - C66 H111 Cu3 N19 O35 -
Comments: Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science 4(4) (2013) 1731
Space group: I 4/m
Cell volume: 43137
Cell parameters: 30.926; 30.926; 45.103; 90; 90; 90;

COD ID: 1515541

Formula: - Fe15.631 K8.622 Se20 -
Comments: Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B. Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies Chemical Science 2(6) (2011) 1054
Space group: I 4/m
Cell volume: 1066.49
Cell parameters: 8.7653; 8.7653; 13.8811; 90; 90; 90;

COD ID: 1515542

Formula: - Fe15.29 K9.223 Se20 -
Comments: Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B. Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies Chemical Science 2(6) (2011) 1054
Space group: I 4/m
Cell volume: 1068.18
Cell parameters: 8.7788; 8.7788; 13.8604; 90; 90; 90;

COD ID: 1516308
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1117.83 Cell parameters: 9.1454; 9.1454; 13.3651; 90; 90; 90;

COD ID: 1516309
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1126.31 Cell parameters: 9.1827; 9.1827; 13.3572; 90; 90; 90;

COD ID: 1516310
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1123.12 Cell parameters: 9.1666; 9.1666; 13.3662; 90; 90; 90;

COD ID: 1516311
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1119.81 Cell parameters: 9.154; 9.154; 13.3636; 90; 90; 90;

COD ID: 1516312
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1116.05 Cell parameters: 9.1379; 9.1379; 13.3657; 90; 90; 90;

COD ID: 1516313
CIF file	Formula: - C7 H14 F N O20 Si10 - Comments: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C 114(14) (2010) 6726 Space group: I 4/m Cell volume: 1122 Cell parameters: 9.1695; 9.1695; 13.344; 90; 90; 90;

COD ID: 1517712

Formula: - C29 H20 O4 P2 Ru2 -
Comments: Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2] Inorganica Chimica Acta 404 (2013) 77-81
Space group: I 4/m
Cell volume: 2934
Cell parameters: 15.571; 15.571; 12.103; 90; 90; 90;

COD ID: 1518887
CIF file	Formula: - C336 H396 Cl12 N12 O108 Ru24 - Comments: Mark D. Young; Qiang Zhang; Hong-Cai Zhou Metal-organic polyhedra constructed from dinuclear ruthenium paddlewheels Inorganica Chimica Acta 424 (2015) 216-220 Space group: I 4/m Cell volume: 36899 Cell parameters: 29.682; 29.682; 41.882; 90; 90; 90;

COD ID: 1519033
CIF file	Formula: - Al F5 Yb - Comments: Kohler, J. Syntheses and structures of novel complex Yb(II) fluorides : YBeF4, YAlF5 and LiYbAlF6 Solid State Sciences 1 (1999) 545-553 Space group: I 4/m Cell volume: 1336.1 Cell parameters: 13.803; 13.803; 7.013; 90; 90; 90;

COD ID: 1519037

Formula: - Nb5 Ni4 P4 -
Comments: Charki, F.; Deputier, S.; Benard-Rocherulle, P.; Guerin, R.; Bouayed, M.; Le Beuze, A.; Saillard, J. Y. An example of the coexistence of octahedral with tetrahedral metal clusters : the ternary phosphide Ni4Nb5P4. Structural and theoretical analyses Solid State Sciences 1 (1999) 607-622
Space group: I 4/m
Cell volume: 347.54
Cell parameters: 9.9304; 9.9304; 3.5243; 90; 90; 90;

COD ID: 1520769
CIF file	Formula: - C2 D4 O6 Sr - Comments: Christensen, A. Norlund; Hazell, R. G. Thermal Analysis and Crystal Structure of Tetragonal Strontium Oxalate Dihydrate and of Triclinic Strontium Oxalate Hydrate Acta Chemica Scandinavica 52 (1998) 508-512 Space group: I 4/m Cell volume: 1226.3 Cell parameters: 12.7827; 12.7827; 7.505; 90; 90; 90;

COD ID: 1520895
CIF file	Formula: - Nd16 O17 S17 Ti5 - Comments: Boyer-Candalen, C.; Deudon, C.; Meerschaut, A. Synthesis and structure determination of Nd16 Ti5 S17 O17 Journal of Solid State Chemistry 152 (2000) 554-559 Space group: I 4/m Cell volume: 1934.85 Cell parameters: 22.153; 22.153; 3.9426; 90; 90; 90;

COD ID: 1521176
CIF file	Formula: - Ba La Mg O6 Ru - Comments: Hong, K.-P.; Choi, Y.-H.; Jung, D.-Y.; Kwon, Y.-U.; Lee, J.-S.; Lee, C.-H.; Shim, H.-S. Atomic and magnetic long-range orderings in Ba La M Ru O6 (M = Mg and Zn) Journal of Solid State Chemistry 150 (2000) 383-390 Space group: I 4/m Cell volume: 251.807 Cell parameters: 5.623; 5.623; 7.964; 90; 90; 90;

COD ID: 1521177
CIF file	Formula: - Ba La O6 Ru Zn - Comments: Hong, K.-P.; Choi, Y.-H.; Jung, D.-Y.; Kwon, Y.-U.; Shim, H.-S.; Lee, J.-S.; Lee, C.-H. Atomic and magnetic long-range orderings in Ba La M Ru O6 (M = Mg and Zn) Journal of Solid State Chemistry 150 (2000) 383-390 Space group: I 4/m Cell volume: 255.528 Cell parameters: 5.6521; 5.6521; 7.9987; 90; 90; 90;

COD ID: 1521256
CIF file	Formula: - Ba2 Cu O6 W - Comments: Iwanaga, D.; Itoh, M.; Inaguma, Y. Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te) Journal of Solid State Chemistry 147 (1999) 291-295 Space group: I 4/m Cell volume: 267.383 Cell parameters: 5.5642; 5.5642; 8.6363; 90; 90; 90;

COD ID: 1521258
CIF file	Formula: - Cu O6 Sr2 W - Comments: Iwanaga, D.; Inaguma, Y.; Itoh, M. Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te) Journal of Solid State Chemistry 147 (1999) 291-295 Space group: I 4/m Cell volume: 248.039 Cell parameters: 5.429; 5.429; 8.4155; 90; 90; 90;

COD ID: 1521260
CIF file	Formula: - Cu O6 Sr2 Te - Comments: Iwanaga, D.; Inaguma, Y.; Itoh, M. Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te) Journal of Solid State Chemistry 147 (1999) 291-295 Space group: I 4/m Cell volume: 249.705 Cell parameters: 5.4308; 5.4308; 8.4664; 90; 90; 90;

COD ID: 1521262
CIF file	Formula: - Ba2 Cu O6 Te - Comments: Iwanaga, D.; Itoh, M.; Inaguma, Y. Crystal structure and magnetic properties of B-site ordered perovskite-type oxides A2 Cu B' O6 (A = Ba, Sr; B'= W, Te) Journal of Solid State Chemistry 147 (1999) 291-295 Space group: I 4/m Cell volume: 270.094 Cell parameters: 5.5903; 5.5903; 8.6426; 90; 90; 90;

COD ID: 1521303
CIF file	Formula: - Ba9 Br34 O Pr6 - Comments: Masselmann, S.; Meyer, G. Die Polyeder-Cluster ((M6 Z) Br36) in den bromiden Ba8 ((M6 Z) Br32) und Ba9 ((M6 Z) Br34) Zeitschrift fuer Anorganische und Allgemeine Chemie 625 (1999) 1-2 Space group: I 4/m Cell volume: 3270.27 Cell parameters: 11.9515; 11.9515; 22.8949; 90; 90; 90;

COD ID: 1521333
CIF file	Formula: - Ba1.08 Fe O16 Ti7 - Comments: Mitchell, R.H.; Yakovenchuk, V.N.; Chakhmouradian, A.R.; Burns, P.C.; Pakhomovskii, Ya.A. Henrymeyerite, a new hollandite-type Ba-Fe titanate from the Kovdorcomplex, Russia Canadian Mineralogist 38 (2000) 617-626 Space group: I 4/m Cell volume: 309.42 Cell parameters: 10.219; 10.219; 2.963; 90; 90; 90;

COD ID: 1521345
CIF file	Formula: - Al3 Cl Na4 O24 Si9 - Comments: Kabalov, Yu.K.; Sokolova, E.V.; Kalygina, N.V.; Schneider, J. Changes in the crystal structure of marialite during heating Kristallografiya 44 (1999) 1049-1053 Space group: I 4/m Cell volume: 1099.9 Cell parameters: 12.0671; 12.0671; 7.5535; 90; 90; 90;

COD ID: 1521354
CIF file	Formula: - Al6 B4 Cu2 O17 - Comments: Kaduk, J.A.; McKenna, S.T.; Satek, L.C. Crystal structures of metal aluminium borates The Rigaku Journal 16 (1999) 17-30 Space group: I 4/m Cell volume: 635.013 Cell parameters: 10.57945; 10.57945; 5.67357; 90; 90; 90;

COD ID: 1521666

Formula: - C30 H64 Mn N8 O4 Re6 S8 -
Comments: Naumov, N.G.; Artemkina, S.B.; Virovets, A.V.; Fedorov, V.E. Facile transformation of isolated fragments to infinite chains in rhenium chalcocyanide clusters: synthesis and structure of (Pr4 N)2 M (H2 O)5 (Re6 X8 (C N)6) . (H2 O) and (Pr4 N)2 M (H2 O)4 (Re6 S8 (C N)6) (X = S, Se; M = Mn, Ni) Journal of Solid State Chemistry 153 (2000) 195-204
Space group: I 4/m
Cell volume: 2535.63
Cell parameters: 13.255; 13.255; 14.432; 90; 90; 90;

COD ID: 1521668

Formula: - C30 H64 N8 Ni O4 Re6 S8 -
Comments: Naumov, N.G.; Artemkina, S.B.; Virovets, A.V.; Fedorov, V.E. Facile transformation of isolated fragments to infinite chains in rhenium chalcocyanide clusters: synthesis and structure of (Pr4 N)2 M (H2 O)5 (Re6 X8 (C N)6) . (H2 O) and (Pr4 N)2 M (H2 O)4 (Re6 S8 (C N)6) (X = S, Se; M = Mn, Ni) Journal of Solid State Chemistry 153 (2000) 195-204
Space group: I 4/m
Cell volume: 2499.93
Cell parameters: 13.247; 13.247; 14.246; 90; 90; 90;

COD ID: 1521916

Formula: - Al4.9 Ca2.82 Cl0.19 K0.2 Na1.17 O24 Si7.1 -
Comments: Sherriff, B.L.; Jaeger, C.; Sokolova, E.V.; Schneider, J.; Jenkins, D.M.; Goetz, S.; Kabalov, Yu.K.; Kunath-Fandrei, G. Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Canadian Mineralogist 38 (2000) 1201-1213
Space group: I 4/m
Cell volume: 1116.12
Cell parameters: 12.1476; 12.1476; 7.5636; 90; 90; 90;

COD ID: 1521917

Formula: - Al5.2 Ca2.86 Cl0.02 K0.01 Na0.78 O24 S0.32 Si6.8 -
Comments: Sherriff, B.L.; Kabalov, Yu.K.; Sokolova, E.V.; Jenkins, D.M.; Kunath-Fandrei, G.; Goetz, S.; Jaeger, C.; Schneider, J. Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Canadian Mineralogist 38 (2000) 1201-1213
Space group: I 4/m
Cell volume: 1120.6
Cell parameters: 12.1637; 12.1637; 7.5739; 90; 90; 90;

COD ID: 1521918

Formula: - Al5.9 Ca3.84 Cl0.02 K0.02 Na0.05 O24 S0.03 Si6.1 -
Comments: Sherriff, B.L.; Sokolova, E.V.; Kabalov, Yu.K.; Jenkins, D.M.; Jaeger, C.; Goetz, S.; Kunath-Fandrei, G.; Schneider, J. Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Canadian Mineralogist 38 (2000) 1201-1213
Space group: I 4/m
Cell volume: 1127.08
Cell parameters: 12.1969; 12.1969; 7.5763; 90; 90; 90;

COD ID: 1521919

Formula: - Al6 Ca4 O24 Si6 -
Comments: Sherriff, B.L.; Sokolova, E.V.; Kabalov, Yu.K.; Schneider, J.; Jenkins, D.M.; Kunath-Fandrei, G.; Goetz, S.; Jaeger, C. Meionite: Rietveld structure-refinement, (29)Si MAS and (27)Al SATRAS NMR spectroscopy, and comments on the marialite-meionite series Canadian Mineralogist 38 (2000) 1201-1213
Space group: I 4/m
Cell volume: 1130.57
Cell parameters: 12.2119; 12.2119; 7.5811; 90; 90; 90;

COD ID: 1522144
CIF file	Formula: - Bi14 Cr O24 - Comments: Warda, S.A.; Kesper, U.; Pietzuch, W.; Massa, W.; Reinen, D. Color and constitution of Cr(VI)-doped Bi2 O3 phases: the structure of Bi14 Cr O24 Journal of Solid State Chemistry 149 (2000) 209-217 Space group: I 4/m Cell volume: 1299.95 Cell parameters: 8.684; 8.684; 17.238; 90; 90; 90;

COD ID: 1522663
CIF file	Formula: - Pt11 Zr9 - Comments: Panda, S.C.; Bhan, S. Alloying behaviour of zirconium with other transition metals Zeitschrift fuer Metallkunde 64 (1973) 793-799 Space group: I 4/m Cell volume: 730.322 Cell parameters: 10.297; 10.297; 6.888; 90; 90; 90;

COD ID: 1522884
CIF file	Formula: - Nb5 Te4 - Comments: Selte, K.; Kjekshus, A. The crystal structures of Nb5 Se4 and Nb5 Te4 Acta Chemica Scandinavica (1-27,1973-42,1988) 17 (1963) 2560-2562 Space group: I 4/m Cell volume: 389.322 Cell parameters: 10.231; 10.231; 3.7194; 90; 90; 90;

COD ID: 1523119
CIF file	Formula: - Ga4 Sm9 - Comments: Yatsenko, S.P.; Grin', Yu.; Chuntonov, K.A.; Sichevich, O.M.; Yarmolyuk, Ya.P. Die Struktur von Sm9 Ga4 Journal of the Less-Common Metals 106 (1985) 35-40 Space group: I 4/m Cell volume: 724.366 Cell parameters: 11.94; 11.94; 5.081; 90; 90; 90;

COD ID: 1523560
CIF file	Formula: - Ni4 W - Comments: Epremian, E.; Harker, D. The crystal structure of Ni4 W Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 185 (1949) 267-273 Space group: I 4/m Cell volume: 116.655 Cell parameters: 5.73; 5.73; 3.553; 90; 90; 90;

COD ID: 1523714
CIF file	Formula: - Ni11 Zr9 - Comments: Glimois, J.L.; Develey, G.; Becle, C.; Moreau, J.M. Crystal structure of the intermetallic compound Ni11 Zr9 Journal of the Less-Common Metals 64 (1979) 87-90 Space group: I 4/m Cell volume: 645.231 Cell parameters: 9.88; 9.88; 6.61; 90; 90; 90;

COD ID: 1523776
CIF file	Formula: - Mo Ni4 - Comments: Harker, D. The crystal structure of Ni4 Mo Journal of Applied Physics 12 (1944) 315-317 Space group: I 4/m Cell volume: 116.608 Cell parameters: 5.72; 5.72; 3.564; 90; 90; 90;

COD ID: 1523953
CIF file	Formula: - K2 O16 V8 - Comments: Abriel, W.; Range, K.J.; Rau, F. New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure Materials Research Bulletin 14 (1979) 1463-1468 Space group: I 4/m Cell volume: 289.446 Cell parameters: 9.963; 9.963; 2.916; 90; 90; 90;

COD ID: 1523954
CIF file	Formula: - O16 Tl1.74 V8 - Comments: Abriel, W.; Rau, F.; Range, K.J. New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure Materials Research Bulletin 14 (1979) 1463-1468 Space group: I 4/m Cell volume: 293.623 Cell parameters: 10.064; 10.064; 2.899; 90; 90; 90;

COD ID: 1524419
CIF file	Formula: - C0.46 H1.88 Al4 Ca6 Cl0.04 Na1.76 O27.82 P0.25 Si6.25 - Comments: Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of sarcolite Tschermaks Mineralogische und Petrographische Mitteilungen (-1978) 24 (1977) 1-21 Space group: I 4/m Cell volume: 2355.78 Cell parameters: 12.343; 12.343; 15.463; 90; 90; 90;

COD ID: 1525351
CIF file	Formula: - Ag2 H15 N5 Na4 Ni O12 S8 - Comments: Stomberg, R.; Svensson, I.B.; Tomlinson, A.A.G. The crystal structure and spectra of Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3 Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 1192-1202 Space group: I 4/m Cell volume: 1133.19 Cell parameters: 14.025; 14.025; 5.761; 90; 90; 90;

COD ID: 1525866
CIF file	Formula: - Cu1.2 P2.04 Pr1.02 - Comments: Demchyna, R.O.; Davydov, V.N.; Chikhrii, S.I.; Kuz'ma, Yu.B. New phosphide Pr Cu1.16 P2.00 and its crystal structure Dopov. Nats. Akad. Nauk. Ukr. 2001 (2001) 129-133 Space group: I 4/m Cell volume: 297.804 Cell parameters: 3.8928; 3.8928; 19.652; 90; 90; 90;

COD ID: 1526020
CIF file	Formula: - Cr1.71 Na1.7 O16 Ti6.29 - Comments: Michiue, Y.; Watanabe, M.; Yoshikado, S. High-temperature X-ray study for a single crystal of the hollandite-like one-dimensional ionic conductor, Nax Crx Ti8-x O16 (x = 1.7) Solid State Ionics 136 (2000) 939-943 Space group: I 4/m Cell volume: 303.012 Cell parameters: 10.099; 10.099; 2.971; 90; 90; 90;

COD ID: 1526402
CIF file	Formula: - Ba Cu La O6 Ru - Comments: Rozier, P.; Jansson, K.; Nygren, M. Investigation of structural and catalytic properties of Ba La4 Cu5-y Ruy O13-d with 0.0 < y <3.0 and of La Ba Cu Ru O6 Materials Research Bulletin 35 (2000) 1391-1400 Space group: I 4/m Cell volume: 253.437 Cell parameters: 5.6328; 5.6328; 7.9877; 90; 90; 90;

COD ID: 1526460
CIF file	Formula: - Ni O6 Sr2 W - Comments: Iwanaga, D.; Inaguma, Y.; Itoh, M. Structure and magnetic properties of Sr2 Ni A O6 Materials Research Bulletin 35 (2000) 449-457 Space group: I 4/m Cell volume: 244.367 Cell parameters: 5.5571; 5.5571; 7.9131; 90; 90; 90;

COD ID: 1526948
CIF file	Formula: - Ba5 Eu8 O21 Zn4 - Comments: Wong-Ng, W.; Dillingham, J.; Kaduk, J.A. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1127.46 Cell parameters: 13.96062; 13.96062; 5.78483; 90; 90; 90;

COD ID: 1526949
CIF file	Formula: - Ba5 Gd8 O21 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1117.52 Cell parameters: 13.91895; 13.91895; 5.76822; 90; 90; 90;

COD ID: 1526950
CIF file	Formula: - Ba5 Dy8 O21 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1091 Cell parameters: 13.80473; 13.80473; 5.72491; 90; 90; 90;

COD ID: 1526951
CIF file	Formula: - Ba5 Ho8 O21 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1081.56 Cell parameters: 13.76577; 13.76577; 5.70754; 90; 90; 90;

COD ID: 1526952
CIF file	Formula: - Ba5 Er8 O21 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1070.86 Cell parameters: 13.71838; 13.71838; 5.69019; 90; 90; 90;

COD ID: 1526953
CIF file	Formula: - Ba5 O21 Tm8 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1060.97 Cell parameters: 13.67323; 13.67323; 5.67492; 90; 90; 90;

COD ID: 1526954
CIF file	Formula: - Ba5 O21 Yb8 Zn4 - Comments: Wong-Ng, W.; Kaduk, J.A.; Dillingham, J. Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements Powder Diffraction 16 (2001) 131-143 Space group: I 4/m Cell volume: 1051.99 Cell parameters: 13.63502; 13.63502; 5.65846; 90; 90; 90;

COD ID: 1527096
CIF file	Formula: - Gd Na O4 Si - Comments: Avetisyan, E.I.; Chichagov, A.V.; Belov, N.V. Crystal structure of sodium gadolinium orthosilicate Kristallografiya 15 (1970) 1066-1067 Space group: I 4/m Cell volume: 731.74 Cell parameters: 11.63; 11.63; 5.41; 90; 90; 90;

COD ID: 1527525
CIF file	Formula: - Ba6 Fe8 S15 - Comments: Hong, H.Y.-P.; Steinfink, H. The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems Journal of Solid State Chemistry 5 (1972) 93-104 Space group: I 4/m Cell volume: 1334.74 Cell parameters: 11.408; 11.408; 10.256; 90; 90; 90;

COD ID: 1527917
CIF file	Formula: - Al10.632 Ca5.36 Cl2 K0.88 Na1.44 O48 Si13.368 - Comments: Papike, J.J.; Stephenson, N.C. The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite American Mineralogist 51 (1966) 1014-1026 Space group: I 4/m Cell volume: 1120.85 Cell parameters: 12.169; 12.169; 7.569; 90; 90; 90;

COD ID: 1528205
CIF file	Formula: - K O8 Ru4 - Comments: Wilhelm, M.; Hoppe, R. Eine neue Rutheniumbronze: K Ru4 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 438 (1978) 90-96 Space group: I 4/m Cell volume: 305.549 Cell parameters: 9.885; 9.885; 3.127; 90; 90; 90;

COD ID: 1528327
CIF file	Formula: - Fe Mo O6 Sr2 - Comments: Azad, A.K.; Eriksson, S.G.; Tseggai, M.; Eriksson, A.; Khan, A. Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6 Journal of Solid State Chemistry 179 (2006) 1303-1311 Space group: I 4/m Cell volume: 243.573 Cell parameters: 5.5529; 5.5529; 7.8993; 90; 90; 90;

COD ID: 1528328
CIF file	Formula: - Fe Mo Nd0.1 O6 Sr1.9 - Comments: Azad, A.K.; Khan, A.; Eriksson, S.G.; Eriksson, A.; Tseggai, M. Electron doping effect on structural and magnetic phase transitions in Sr(2-x) Nd(x) Fe Mo O6 Journal of Solid State Chemistry 179 (2006) 1303-1311 Space group: I 4/m Cell volume: 243.46 Cell parameters: 5.5557; 5.5557; 7.8877; 90; 90; 90;

COD ID: 1528409
CIF file	Formula: - Mn O6 Sb Sr2 - Comments: Cheah, M.; Saines, P.J.; Kennedy, B.J. The Jahn-Teller distortion and cation ordering in the perovskite Sr2 Mn Sb O6 Journal of Solid State Chemistry 179 (2006) 1775-1781 Space group: I 4/m Cell volume: 247.308 Cell parameters: 5.5313; 5.5313; 8.0832; 90; 90; 90;

COD ID: 1528500
CIF file	Formula: - Ba2 Gd Nb O6 - Comments: Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry 179 (2006) 1022-1028 Space group: I 4/m Cell volume: 306.573 Cell parameters: 5.99856; 5.99856; 8.52; 90; 90; 90;

COD ID: 1528501
CIF file	Formula: - Ba2 Nb O6 Tb - Comments: Fu, W.T.; Ijdo, D.J.W. New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y) Journal of Solid State Chemistry 179 (2006) 1022-1028 Space group: I 4/m Cell volume: 303.744 Cell parameters: 5.98428; 5.98428; 8.48173; 90; 90; 90;

COD ID: 1528598

Formula: - C32 H224 Mo12 N16 O192 S16 Si4 W40 -
Comments: Izarova, N.V.; Sokolov, M.N.; Marrot, J.; Cadot, E.; Fedin, V.P.; Secheresse, F. Synthesis and structure of supermolecular polyoxothiometalate nanocluster containing 52 metal atoms [{Mo3 S4 (H2 O)5}4 (gamma-Si W10 O36)4](16-) Izvestiya Akad. Nauk, Seriya Khimicheskaya 53 (2004) 1445-1448
Space group: I 4/m
Cell volume: 12757.2
Cell parameters: 24.1514; 24.1514; 21.8711; 90; 90; 90;

COD ID: 1528686

Formula: - Al1.46 Ba1.2 Cs0.28 Fe0.82 O16 Ti5.72 -
Comments: Leinekugel-le-Cocq-Errien, A.Y.; Deniard, P.; Jobic, S.; Gautier, E.; Aubin, V.; Evain, M.; Bart, F. Structural characterization of the hollandite host lattice for the confinement of radioactive cesium: Quantification of the amorphous phase taking into account the incommensurate modulated character of the crystallized part Journal of Solid State Chemistry 180 (2007) 322-330
Space group: I 4/m
Cell volume: 297.464
Cell parameters: 10.0503; 10.0503; 2.94494; 90; 90; 90;

COD ID: 1528947
CIF file	Formula: - C8 H16 Co2 Mo N8 O8 - Comments: Tuna, F.; Golhen, S.; Ouahab, L.; Sutter, J.P. Crystal structure and magnetic properties of [{Co (H2 O)2}2 Mo (C N)8].4 H2 O, a three-dimensional cyanide-bridged bimetallic compound Comptes Rendus Chimie 6 (2003) 377-383 Space group: I 4/m Cell volume: 1794.01 Cell parameters: 11.7306; 11.7306; 13.0372; 90; 90; 90;

COD ID: 1529016
CIF file	Formula: - Ba2 Ca O6 W - Comments: Yamamura, Y.; Wakeshima, M.; Hinatsu, Y. Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os) Journal of Solid State Chemistry 179 (2006) 605-612 Space group: I 4/m Cell volume: 295.28 Cell parameters: 5.93; 5.93; 8.397; 90; 90; 90;

COD ID: 1529018
CIF file	Formula: - Ba2 Ca O6 Re - Comments: Yamamura, Y.; Wakeshima, M.; Hinatsu, Y. Structural phase transition and magnetic properties of double perovskites Ba2 Ca M O6 (M = W, Re, Os) Journal of Solid State Chemistry 179 (2006) 605-612 Space group: I 4/m Cell volume: 291.148 Cell parameters: 5.8961; 5.8961; 8.375; 90; 90; 90;

COD ID: 1529161
CIF file	Formula: - Fe0.74 Mo0.98 O6 Sr2 Ti0.25 - Comments: Ritter, C.; Blasco, J.; Ibarra, M.R.; de Teresa, J.M.; Morellon, L.; Garcia, J.; Serrate, D. Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6 Solid State Sciences 6 (2004) 419-431 Space group: I 4/m Cell volume: 244.301 Cell parameters: 5.5606; 5.5606; 7.901; 90; 90; 90;

COD ID: 1529163
CIF file	Formula: - Fe0.75 Mo O6 Sr2 V0.25 - Comments: Ritter, C.; Ibarra, M.R.; de Teresa, J.M.; Blasco, J.; Morellon, L.; Garcia, J.; Serrate, D. Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6 Solid State Sciences 6 (2004) 419-431 Space group: I 4/m Cell volume: 242.907 Cell parameters: 5.5541; 5.5541; 7.8743; 90; 90; 90;

COD ID: 1529165
CIF file	Formula: - Cr0.25 Fe0.75 Mo O5.9 Sr2 - Comments: Ritter, C.; Serrate, D.; Blasco, J.; de Teresa, J.M.; Garcia, J.; Morellon, L.; Ibarra, M.R. Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6 Solid State Sciences 6 (2004) 419-431 Space group: I 4/m Cell volume: 243.077 Cell parameters: 5.5552; 5.5552; 7.8767; 90; 90; 90;

COD ID: 1529167
CIF file	Formula: - Fe0.99 Mo0.99 O6 Sr2 - Comments: Ritter, C.; Blasco, J.; de Teresa, J.M.; Ibarra, M.R.; Serrate, D.; Garcia, J.; Morellon, L. Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6 Solid State Sciences 6 (2004) 419-431 Space group: I 4/m Cell volume: 245.588 Cell parameters: 5.5679; 5.5679; 7.9218; 90; 90; 90;

COD ID: 1529169
CIF file	Formula: - Co0.25 Fe0.75 Mo O5.68 Sr1.91 - Comments: Ritter, C.; Serrate, D.; Blasco, J.; Morellon, L.; de Teresa, J.M.; Garcia, J.; Ibarra, M.R. Structural and magnetic details of 3d-element doped Sr2 Fe0.75 T0.25 Mo O6 Solid State Sciences 6 (2004) 419-431 Space group: I 4/m Cell volume: 243.908 Cell parameters: 5.5538; 5.5538; 7.9076; 90; 90; 90;

COD ID: 1529483
CIF file HKL data	Formula: - F6 In K Rb2 - Comments: K.S. Aleksandrov; S.V. Misyul; M.S. Molokeev; V.N. Voronov Structures of distorted phases and critical and noncritical atomic displacements of elpasolite Rb2KInF6 during phase transitions Physics of the Solid State 51(12) (2009) 2505-2512 Space group: I 4/m Cell volume: 375.208 Cell parameters: 6.42098; 6.42098; 9.1006; 90; 90; 90;

COD ID: 1529904
CIF file	Formula: - F5 U - Comments: Eller, P.G.; Ensor, D.D.; Larson, A.C.; Peterson, J.R.; Young, J.P. Crystal structures of alpha-U F5 and U2 F9 and spectral characterization of U2 F9 Inorganica Chimica Acta 37 (1979) 129-133 Space group: I 4/m Cell volume: 189.905 Cell parameters: 6.518; 6.518; 4.47; 90; 90; 90;

COD ID: 1530099
CIF file	Formula: - K Li O4 Zn3 - Comments: Hoppe, R.; Seipp, E.; Baier, R. New metal oxides of the family Am((T O)q): A Li Mn3 O4 and A Li Zn3 O4 (A = K, Rb) Journal of Solid State Chemistry 72 (1988) 52-57 Space group: I 4/m Cell volume: 224.316 Cell parameters: 8.1927; 8.1927; 3.342; 90; 90; 90;

COD ID: 1530100
CIF file	Formula: - Li0.92 Mn3.08 O4 Rb - Comments: Hoppe, R.; Seipp, E.; Baier, R. New metal oxides of the family Am((T O)q): A Li Mn3 O4 and A Li Zn3 O4 (A = K, Rb) Journal of Solid State Chemistry 72 (1988) 52-57 Space group: I 4/m Cell volume: 243.709 Cell parameters: 8.4066; 8.4066; 3.4485; 90; 90; 90;

COD ID: 1530248
CIF file	Formula: - K0.06 O2 Ti - Comments: Latroche, M.; Brohan, L.; Tournoux, M.; Marchand, R. New Hollandite Oxides: Ti O2 (H) and K.06 Ti O2 Journal of Solid State Chemistry 81 (1989) 78-82 Space group: I 4/m Cell volume: 307.494 Cell parameters: 10.182; 10.182; 2.966; 90; 90; 90;

COD ID: 1530670
CIF file	Formula: - Al2.1 Ba1.17 O16 Ti5.84 - Comments: Sabine, T.M.; Hewat, A.W. The structure of the Hollandite type phase of synroc B in the temperature range 20-1060 C Journal of Nuclear Materials 110 (1981) 13-17 Space group: I 4/m Cell volume: 292.233 Cell parameters: 9.9818; 9.9818; 2.933; 90; 90; 90;

COD ID: 1530709
CIF file	Formula: - F29 O20 Pb12 Ta9 - Comments: Savborg, O. Structures of Niobium and Tantalum Oxide Fluorides Containing Lone-Pair Ions IV.Pb12 Ta9 O20 F29: A "Block" Structure Related to the Aurivillius Phases Journal of Solid State Chemistry 57 (1985) 154-159 Space group: I 4/m Cell volume: 2054.91 Cell parameters: 22.8951; 22.8951; 3.9202; 90; 90; 90;

COD ID: 1530961
CIF file	Formula: - K1.28 O16 Ti8 - Comments: Vogt, T.; Wuestefeld, C.; Schweda, E.; Straehle, J.; Cheetham, A.K. Structural Analysis of a Potassium Hollandite K1.35 Ti8 O16 Journal of Solid State Chemistry 83 (1989) 61-68 Space group: I 4/m Cell volume: 307.384 Cell parameters: 10.18; 10.18; 2.9661; 90; 90; 90;

COD ID: 1530974
CIF file	Formula: - Al1.5 K1.5 O16 Ti6.5 - Comments: Watanabe, M.; Fujiki, Y.; Kanazawa, Y.; Tsukimura, K. The effects of cation substitution on the Hollandite-type structure Journal of Solid State Chemistry 66 (1987) 56-63 Space group: I 4/m Cell volume: 297.343 Cell parameters: 10.062; 10.062; 2.9369; 90; 90; 90;

COD ID: 1530975
CIF file	Formula: - Al1.47 O16 Rb1.47 Ti6.53 - Comments: Watanabe, M.; Tsukimura, K.; Fujiki, Y.; Kanazawa, Y. The effects of cation substitution on the Hollandite-type structure Journal of Solid State Chemistry 66 (1987) 56-63 Space group: I 4/m Cell volume: 300.248 Cell parameters: 10.11; 10.11; 2.9375; 90; 90; 90;

COD ID: 1530976
CIF file	Formula: - Ga17.28 O56 Rb1.26 Ti14.72 - Comments: Watanabe, M.; Ohachi, T.; Fujiki, Y.; Yoshikado, S. Structural Aspects of the New One-Dimensional Ionic Conductors: Ax Ga8 Ga8+x Ti16-x O56 (A=K,Rb and Cs, x<=2) Solid State Ionics 28 (1988) 257-261 Space group: I 4/m Cell volume: 986.31 Cell parameters: 18.142; 18.142; 2.9967; 90; 90; 90;

COD ID: 1530988
CIF file	Formula: - K1.59 Mg0.77 O16 Ti7.23 - Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484 Space group: I 4/m Cell volume: 305.1 Cell parameters: 10.138; 10.138; 2.9685; 90; 90; 90;

COD ID: 1530989
CIF file	Formula: - K1.58 Mg0.77 O16 Ti7.23 - Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484 Space group: I 4/m Cell volume: 307.623 Cell parameters: 10.167; 10.167; 2.976; 90; 90; 90;

COD ID: 1530990
CIF file	Formula: - K1.6 Mg0.77 O16 Ti7.23 - Comments: Weber, H.P.; Schultz, H. Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K Journal of Chemical Physics 85 (1986) 475-484 Space group: I 4/m Cell volume: 311.105 Cell parameters: 10.197; 10.197; 2.992; 90; 90; 90;

COD ID: 1531006
CIF file	Formula: - Al K O8 Si3 - Comments: Yamada, H.; Matsui, Y.; Ito, E. Crystal-chemical characterization of K Al Si3 O8 with the hollandite structure Mineralogical Journal (Japan) 12 (1984) 29-34 Space group: I 4/m Cell volume: 236.724 Cell parameters: 9.3244; 9.3244; 2.7227; 90; 90; 90;

COD ID: 1531103

Formula: - Ba2 Fe O6 W -
Comments: Azad, A.K.; Eriksen, J.; Mellergard, A.; Eriksson, S.G.; Ivanov, S.A.; Rundlof, H. A study on the nuclear and magnetic structure of the double perovskites A2 Fe W O6 (A = Sr, Ba) by neutron powder diffraction and reverse Monte Carlo modelling Materials Research Bulletin 37 (2002) 1797-1813
Space group: I 4/m
Cell volume: 267.685
Cell parameters: 5.7448; 5.7448; 8.111; 90; 90; 90;

COD ID: 1531491

Formula: - Cs D S -
Comments: Haarmann, F.; Jacobs, H.; White, M.A.; Kockelmann, W.; Marriott, R.A.; Mueller, P.; Kennedy, C.A.; Senker, J.; Qiu, L. Dynamics of anions and cations in cesium hydrogensulfide (Cs H S, Cs D S): neutron and X-ray diffraction, calorimetry and proton NMR investigations Journal of Chemical Physics 117 (2002) 4961-4972
Space group: I 4/m
Cell volume: 607.103
Cell parameters: 8.202; 8.202; 9.0245; 90; 90; 90;

COD ID: 1532230
CIF file	Formula: - K5 Te3 - Comments: Seifert-Lorenz, K.; Hafner, J. Crystalline intermetallic compounds in the K-Te system: the Zintl-Klemm principle revisited Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 094105-1-094105-15 Space group: I 4/m Cell volume: 1238.62 Cell parameters: 13.8611; 13.8611; 6.4468; 90; 90; 90;

COD ID: 1532314
CIF file	Formula: - C30 H64 Fe5 N26 Na16 O36 - Comments: Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J. X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion Journal of Chemical Crystallography 31(11-12) (2001) 471-477 Space group: I 4/m Cell volume: 4100.43 Cell parameters: 16.308; 16.308; 15.418; 90; 90; 90;

COD ID: 1532525
CIF file	Formula: - K1.15 Nb0.67 O16 Ti7.33 - Comments: Kumada, N.; Takei, T.; Hirose, K.; Kinomura, N. Synthesis and crystal structure of hollandite-type K~x~Nb~y~Ti~8-y~O~16~ ( x ≤ 1.15, 0 ≤ y ≤ 1) Journal of the Ceramic Society of Japan 111(1293) (2003) 352-356 Space group: I 4/m Cell volume: 310.994 Cell parameters: 10.226; 10.226; 2.974; 90; 90; 90;

COD ID: 1532626
CIF file	Formula: - Bi14 O24 W - Comments: Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M= Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry 175 (2003) 197-206 Space group: I 4/m Cell volume: 1323.03 Cell parameters: 8.7296; 8.7296; 17.3613; 90; 90; 90;

COD ID: 1532627
CIF file	Formula: - Bi14 Mo O24 - Comments: Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry 175 (2003) 197-206 Space group: I 4/m Cell volume: 1319.82 Cell parameters: 8.7232; 8.7232; 17.3446; 90; 90; 90;

COD ID: 1532628
CIF file	Formula: - Bi14 Cr O24 - Comments: Crumpton, T.E.; Francesconi, M.G.; Greaves, C. The structural chemistry of Bi14 M O24 (M = Cr, Mo, W) phases: bismuth oxides containing discrete M O4 tetrahedra Journal of Solid State Chemistry 175 (2003) 197-206 Space group: I 4/m Cell volume: 1281.04 Cell parameters: 8.6402; 8.6402; 17.1599; 90; 90; 90;

COD ID: 1532660
CIF file	Formula: - C6 H16 F Ge10 N O20 - Comments: Wang Yingxia; Song Jiaqing; Gies, H. The substitution of germanium for silicon in AST-type zeolite Solid State Sciences 5 (2003) 1421-1433 Space group: I 4/m Cell volume: 1233.32 Cell parameters: 9.271; 9.271; 14.349; 90; 90; 90;

COD ID: 1533170
CIF file	Formula: - Cs0.79 Li0.21 O8 Ru4 - Comments: Foo, M.L.; Siegrist, T.; Lee Weili; Lawes, G.; Ramirez, A.P.; Cava, R.J.; Ong, N.P. Electronic characterization of alkali ruthenium hollandites: K Ru4 O8, Rb Ru4 O8 and Cs0.8 Li0.2 Ru4 O8 Materials Research Bulletin 39 (2004) 1663-1670 Space group: I 4/m Cell volume: 317.51 Cell parameters: 10.085; 10.085; 3.1218; 90; 90; 90;

COD ID: 1533206
CIF file	Formula: - Cu O6 Sr2 W - Comments: Gateshki, M.; Igartua, J.M. Second-order structural phase transition in Sr2 Cu W O6 double-perovskite oxide Journal of Physics: Condensed Matter 15 (2003) 6749-6757 Space group: I 4/m Cell volume: 246.409 Cell parameters: 5.4169; 5.4169; 8.3976; 90; 90; 90;

COD ID: 1533884
CIF file	Formula: - D0.068 H0.132 Mn O2.1 - Comments: Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y. Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting Journal of Solid State Chemistry 177 (2004) 1258-1267 Space group: I 4/m Cell volume: 272.89 Cell parameters: 9.777; 9.777; 2.8548; 90; 90; 90;

COD ID: 1533885
CIF file	Formula: - H0.308 Mn O2.154 - Comments: Kijima, N.; Ikeda, T.; Oikawa, K.; Izumi, F.; Yoshimura, Y. Crystal structure of an open-tunnel oxide alpha-(Mn O2) analyzed by Rietveld refinements and MEM-based pattern fitting Journal of Solid State Chemistry 177 (2004) 1258-1267 Space group: I 4/m Cell volume: 274.548 Cell parameters: 9.81359; 9.81359; 2.85077; 90; 90; 90;

COD ID: 1534355
CIF file	Formula: - F14 N2 Ni - Comments: Charpin, P.; Lance, M.; Tue, B.H; Bougon, R. Crystallographic data on bis-tetrafluoroammonium hexafluoronickelate(IV), (N F4)2 Ni F6 Journal of Fluorine Chemistry 17 (1981) 479-484 Space group: I 4/m Cell volume: 432.182 Cell parameters: 6.828; 6.828; 9.27; 90; 90; 90;

COD ID: 1534489
CIF file	Formula: - Fe0.8 K1.46 O16 Ti7.2 - Comments: Genkina, E.A.; Dem'yanets, L.N.; Maksimov, B.A.; Lazarevskaya, O.A. Synthesis and structure of a new compound from hollandite series Kristallografiya 38 (1993) 66-70 Space group: I 4/m Cell volume: 304.972 Cell parameters: 10.147; 10.147; 2.962; 90; 90; 90;

COD ID: 1534577

Formula: - Ge Nb19.144 O50 -
Comments: Anderson, J.S.; Bevan, D.J.M.; Hutchinson, J.L.; Cheetham, A.K.; von Dreele, R.B.; Straehle, J. The structure of germanium niobium oxide, an inherently non-stoichiometric block structure Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 346 (1975) 139-156
Space group: I 4/m
Cell volume: 947.648
Cell parameters: 15.736; 15.736; 3.827; 90; 90; 90;

COD ID: 1534934
CIF file	Formula: - Cl Cu20 H92 K12 Li13 O242 P8 W48 - Comments: Mal, S.S.; Kortz, U. The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion Angew. Chem. Int. ed. 44 (2005) 3777-3780 Space group: I 4/m Cell volume: 15202.7 Cell parameters: 26.753; 26.753; 21.241; 90; 90; 90;

COD ID: 1535072
CIF file	Formula: - Al5.52 Ca3.52 Na0.48 O24 Si6.48 - Comments: Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S. Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition Kristallografiya 38 (1993) 52-57 Space group: I 4/m Cell volume: 1130.43 Cell parameters: 12.208; 12.208; 7.585; 90; 90; 90;

COD ID: 1535075
CIF file	Formula: - C0.05 Al3.29 Ca0.44 Cl Na3.56 O24.15 Si8.71 - Comments: Belokoneva, E.L.; Sokolova, N.V.; Urusov, V.S. Skapolites: Crystal structures of marialite (Ma11) and meyonite(Me88), space group as a function of composition . Kristallografiya 38 (1993) 52-57 Space group: I 4/m Cell volume: 1101.88 Cell parameters: 12.06; 12.06; 7.576; 90; 90; 90;

COD ID: 1535092

Formula: - Cs8 O19 Ta6 -
Comments: Hartl, H.; Pickhard, F.; Emmerling, F.; Roehr, C. Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14) Zeitschrift fuer Anorganische und Allgemeine Chemie 627 (2001) 2630-2638
Space group: I 4/m
Cell volume: 1363.91
Cell parameters: 9.8585; 9.8585; 14.0334; 90; 90; 90;

COD ID: 1535376
CIF file	Formula: - H14 N6 Na2 Ni - Comments: Tenten, A.; Jacobs, H. Partielle Substitution von Nickel durch Natrium in Nickel(II)-amid: Isolierte Na4Ni2(NH2)84NH3-Einheiten in Natriumtetraamidoniccolat(II)-diammoniakat Zeitschrift fuer Anorganische und Allgemeine Chemie 604 (1991) 113-126 Space group: I 4/m Cell volume: 876.31 Cell parameters*: 8.932; 8.932; 10.984; 90; 90; 90;

COD ID: 1535671
CIF file	Formula: - K4 N2 O5 - Comments: Mueller, W.; Jansen, M. A4N2O5 (A = Na, K), neue Oxidnitrite der Alkalimetalle und eine Bemerkung zum quasi-binaeren System K3NO3/K3OBr Zeitschrift fuer Anorganische und Allgemeine Chemie 610 (1992) 28-32 Space group: I 4/m Cell volume: 431.302 Cell parameters: 5.204; 5.204; 15.926; 90; 90; 90;

COD ID: 1535693
CIF file	Formula: - H200 Li28 Np49.1 O374 - Comments: Burns, P.C.; Soderholm, L.; Sigmon, G.; Fryer, B.J.; Gagnon, J.E.; Antonio, M.R.; Kubatko, K.A. Actinyl Peroxide Nanospheres Angew. Chem. Int. ed. 44 (2005) 2135-2139 Space group: I 4/m Cell volume: 8798.38 Cell parameters: 18.1554; 18.1554; 26.6926; 90; 90; 90;

COD ID: 1535962
CIF file	Formula: - Cl2 Eu2 O3 Si - Comments: Jacobsen, H.; Meyer, G.; Blasse, G.; Schipper, W. Synthesis, structures and luminescence of two new europium(II) silicate-chlorides, Eu2SiO3Cl2 and Eu5SiO4Cl6 Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 451-456 Space group: I 4/m Cell volume: 1192.17 Cell parameters: 11.187; 11.187; 9.526; 90; 90; 90;

COD ID: 1535992
CIF file	Formula: - Mg0.1025 O2 Ti0.8975 Tl0.205 - Comments: Verbaere, A.; Dion, M.; Tournoux, M. Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2 Revue de Chimie Minerale 12 (1975) 156-174 Space group: I 4/m Cell volume: 308.367 Cell parameters: 10.181; 10.181; 2.975; 90; 90; 90;

COD ID: 1536211
CIF file	Formula: - As4 Nb5 Pd4 - Comments: Wang, M.; MacLean, E.J.; Mar, A. Structure determination of niobium palladium arsenide, Nb5 Pd4 As4, from a 5 x 5 x 5 micro-m(exp3) crystal with synchrotron radiation Journal of Solid State Chemistry 172 (2003) 232-236 Space group: I 4/m Cell volume: 413.188 Cell parameters: 10.4457; 10.4457; 3.7868; 90; 90; 90;

COD ID: 1536263

Formula: - K1.8 Li2.45 O16 Sb5.55 -
Comments: Watelet, H.; Baud, G.; Besse, J.P.; Chevalier, R. Determination structurale et proprietes de conduction d'un nouveau compose de type hollandite: K1.8 (Li2.45 Sb5.55) O16 ; mise en evidence d'une substructure d'ordre 3 Materials Research Bulletin 17 (1982) 863-871
Space group: I 4/m
Cell volume: 289.504
Cell parameters: 9.93; 9.93; 2.936; 90; 90; 90;

COD ID: 1536302

Formula: - Al Ba0.62 Eu0.38 F5 -
Comments: Weil, M.; Kubel, F. Single crystal growth and classification of Eu Al F5 and solid solutions M(II)1-x Eux Al F5 (M = Ca, Sr, Ba) within the structural family of tetragonal M(II) M(III) F5 compounds Journal of Solid State Chemistry 164 (2002) 150-156
Space group: I 4/m
Cell volume: 1506.19
Cell parameters: 14.386; 14.386; 7.2778; 90; 90; 90;

COD ID: 1536323
CIF file	Formula: - C0.08 Al3.52 Ca0.576 Cl0.92 K0.24 Na3.008 O24.24 Si8.32 - Comments: Kabalov, Yu.K.; Sokolova, E.V. Refinement of crystal structures of scapolites by the Rietveld method: marialites (6.4,8.1 and 15%Me) Kristallografiya 41 (1996) 461-470 Space group: I 4/m Cell volume: 1099.18 Cell parameters: 12.0413; 12.0413; 7.5809; 90; 90; 90;

COD ID: 1536355

Formula: - Al Ba0.25 F5 Sr0.75 -
Comments: Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M= Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1053-1058
Space group: I 4/m
Cell volume: 1464.76
Cell parameters: 14.2327; 14.2327; 7.2309; 90; 90; 90;

COD ID: 1536359

Formula: - Al Ba0.31 Ca0.13 F5 Sr0.56 -
Comments: Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1053-1058
Space group: I 4/m
Cell volume: 1458.93
Cell parameters: 14.2315; 14.2315; 7.2033; 90; 90; 90;

COD ID: 1536363

Formula: - Al Ba0.76 F5 Sr0.24 -
Comments: Weil, M.; Kubel, F. Der Uebergang von isolierten dimeren (Al F4/1 F2/2)2 Gruppen aus kantenverknuepften Oktaedern zu unendlichen linearen (infty 1)(Al F4/1 F2/2)-Ketten eckenverknuepfter Oktaeder in den tetragonalen Verbindungen (Sr, M) Al F5 (M = Ca, Ba) - der Einfluss des unterschiedlichen Substitutionsgrades von Sr durch Ba und Ca Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1053-1058
Space group: I 4/m
Cell volume: 1539.31
Cell parameters: 14.486; 14.486; 7.3355; 90; 90; 90;

COD ID: 1537085
CIF file	Formula: - Cs3 Se22 - Comments: Kromm, A.; Sheldrick, W.S. Cs3 Se22: a selenium-rich cesium polyselenide containing Se8 crowns and (Se6(3-)) anions with radical character Zeitschrift fuer Anorganische und Allgemeine Chemie 632 (2006) 191-194 Space group: I 4/m Cell volume: 1496.76 Cell parameters: 8.749; 8.749; 19.554; 90; 90; 90;

COD ID: 1537280
CIF file	Formula: - H8 Li3 Mo9 O41 S8 - Comments: du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J. Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties Chemistry - A European Journal 10 (2004) 3026-3032 Space group: I 4/m Cell volume: 2442.53 Cell parameters: 14.7749; 14.7749; 11.189; 90; 90; 90;

COD ID: 1537323
CIF file	Formula: - Cu4 Nb5 Si4 - Comments: Ganglberger, E. Die Kristallstruktur von Nb5 Cu4 Si4 Monatshefte fuer Chemie (-108,1977) 99 (1968) 549-556 Space group: I 4/m Cell volume: 373.91 Cell parameters: 10.1908; 10.1908; 3.6004; 90; 90; 90;

COD ID: 1537350
CIF file	Formula: - S4 V5 - Comments: Groenvold, F.; Haraldsen, H.; Pedersen, B.; Tufte, T. X-Ray and Magnetic Study of Vanadium Sulfides in the Range V5 S4 to V5 S8 Revue de Chimie Minerale 6 (1969) 215-240 Space group: I 4/m Cell volume: 260.448 Cell parameters: 8.988; 8.988; 3.224; 90; 90; 90;

COD ID: 1537392
CIF file	Formula: - Bi F5 - Comments: Hebecker, C. Zur Kristallstruktur von Wismutpentafluorid Zeitschrift fuer Anorganische und Allgemeine Chemie 384 (1971) 111-114 Space group: I 4/m Cell volume: 183.156 Cell parameters: 6.581; 6.581; 4.229; 90; 90; 90;

COD ID: 1537573
CIF file	Formula: - Ni12 P5 - Comments: Larsson, E. An x-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Arkiv foer Kemi 23 (1965) 335-365 Space group: I 4/m Cell volume: 378.999 Cell parameters: 8.646; 8.646; 5.07; 90; 90; 90;

COD ID: 1537598
CIF file	Formula: - H2 O16 S3 U3 - Comments: Lundgren, G. The crystal structure of U6 O4 (O H)4 (S O4)6 Arkiv foer Kemi 5 (1952) 349-363 Space group: I 4/m Cell volume: 1197.19 Cell parameters: 10.741; 10.741; 10.377; 90; 90; 90;

COD ID: 1538078
CIF file	Formula: - Nb5 Sb4 - Comments: Furuseth, S.; Kjekshus, A. On the arsenides and antimonides of niobium Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 1180-1195 Space group: I 4/m Cell volume: 378.346 Cell parameters: 10.314; 10.314; 3.5566; 90; 90; 90;

COD ID: 1538310
CIF file	Formula: - Ce3 H2 O16 S3 - Comments: Lundgren, G. The crystal structure of Ce6 O4 (O H)4 (S O4)6 Arkiv foer Kemi 10 (1957) 183-197 Space group: I 4/m Cell volume: 1169.3 Cell parameters: 10.661; 10.661; 10.288; 90; 90; 90;

COD ID: 1539323
CIF file	Formula: - N5 Nb4 - Comments: Terao, N. New phase of niobium nitride Journal of the Less-Common Metals 23 (1971) 159-169 Space group: I 4/m Cell volume: 203.029 Cell parameters: 6.873; 6.873; 4.298; 90; 90; 90;

COD ID: 1541131
CIF file	Formula: - Ba Cu8 P4 - Comments: Pilchowski, I.; Mewis, A.; Wenzel, M.; Gruehn, R. Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen Zeitschrift fuer Anorganische und Allgemeine Chemie 588 (1990) 109-116 Space group: I 4/m Cell volume: 402.834 Cell parameters: 10.192; 10.192; 3.878; 90; 90; 90;

COD ID: 1541132
CIF file	Formula: - As4 Ba Cu8 - Comments: Pilchowski, I.; Gruehn, R.; Mewis, A.; Wenzel, M. Ba Cu8 P4 und Ba Cu8 As4: Darstellung, Strukturbestimmung und elektronenmikroskopische Untersuchungen Zeitschrift fuer Anorganische und Allgemeine Chemie 588 (1990) 109-116 Space group: I 4/m Cell volume: 433.84 Cell parameters: 10.455; 10.455; 3.969; 90; 90; 90;

COD ID: 1541653
CIF file	Formula: - C0.88 Al5.43 Ca3.4 Na0.64 O26.76 Si6.59 - Comments: Aitken, B.G.; Evans, H.T.jr.; Konnert, J.A. The crystal structure of a synthetic meionite Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 149 (1984) 309-324 Space group: I 4/m Cell volume: 1122.99 Cell parameters: 12.179; 12.179; 7.571; 90; 90; 90;

COD ID: 1542076
CIF file	Formula: - Fe0.25 H0.5 Na2 O11 Si4 Ti0.75 - Comments: Pyatenko, Yu.A.; Pudovkina, Z.V. Crystal structure of narsarsukite Kristallografiya 5 (1960) 563-573 Space group: I 4/m Cell volume: 918.198 Cell parameters: 10.72; 10.72; 7.99; 90; 90; 90;

COD ID: 1542963
CIF file	Formula: - C124 H72 Cl16 N16 Tb2 - Comments: Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets Chem. Sci. 7(7) (2016) 4329 Space group: I 4/m Cell volume: 5272 Cell parameters: 14.313; 14.313; 25.736; 90; 90; 90;

COD ID: 1544361
CIF file	Formula: - In O6 Sr2 Ta - Comments: Zhou, Q.; Kennedy, B.J.; Avdeev, M. Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C Physics and Chemistry of Minerals 40 (2013) 603-610 Space group: I 4/m Cell volume: 273.55 Cell parameters: 5.7783; 5.7783; 8.1929; 90; 90; 90;

COD ID: 1544719
CIF file	Formula: - Mn8 O16 Rb1.5 - Comments: Yamamoto, N.; Oka, Y.; Tamada, O. Single crystal growth and structure determination of Rb1.5Mn8O16 hollandite Mineralogical Journal 15 (1990) 41-49 Space group: I 4/m Cell volume: 281.7 Cell parameters: 9.915; 9.915; 2.866; 90; 90; 90;

COD ID: 1544720
CIF file	Formula: - Ba0.06 Fe0.16 H0.32 K0.98 Mn7.84 Na0.33 O16.16 - Comments: Kubo, H.; Miura, H.; Hariya, Y. Tetragonal-monoclinic transformation of cryptomelane at high temperature Mineralogical Journal 15 (1990) 50-63 Space group: I 4/m Cell volume: 276.94 Cell parameters: 9.832; 9.832; 2.8648; 90; 90; 90;

COD ID: 1545628
CIF file	Formula: - Ba F5 Ti - Comments: Eicher, S. M.; Greedan, J. E. Crystal structures and magnetic properties of BaTiF5 and CaTiF5 Journal of Solid State Chemistry 52 (1984) 12-21 Space group: I 4/m Cell volume: 1746.8 Cell parameters: 15.091; 15.091; 7.67; 90; 90; 90;

COD ID: 1546127
CIF file	Formula: - F19 Fe3 Sr5 - Comments: Graulich, J.; Babel, D. Zweikernige aniongruppen [Fe2F10]4- in der kristallstruktur von Sr5Fe3F19 Zeitschrift fur anorganische und allgemeine Chemie 597 (1991) 51-59 Space group: I 4/m Cell volume: 1493 Cell parameters: 14.294; 14.294; 7.307; 90; 90; 90;

COD ID: 1547343

Formula: - C48 H112 As8 Ga Na5 O68 Pd12 -
Comments: Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci. (2017)
Space group: I 4/m
Cell volume: 6210.9
Cell parameters: 15.8084; 15.8084; 24.853; 90; 90; 90;

COD ID: 1547344

Formula: - C48 H102 As8 La Na5 O63 Pd12 -
Comments: Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci. (2017)
Space group: I 4/m
Cell volume: 6343.6
Cell parameters: 15.8839; 15.8839; 25.1431; 90; 90; 90;

COD ID: 1547346

Formula: - C48 H100 As8 In Na5 O62 Pd12 -
Comments: Lang, Zhongling; Yang, Peng; Lin, Zhengguo; Yan, Li-Kai; Li, Ming-Xing; Carbó, Jorge J.; Kortz, Ulrich; Poblet, Josep M. Size and Charge Effect of Guest Cations in Formation of Polyoxopalladates: A Theoretical and Experimental Study Chem. Sci. (2017)
Space group: I 4/m
Cell volume: 6228.9
Cell parameters: 15.7992; 15.7992; 24.954; 90; 90; 90;

COD ID: 1547689

Formula: - C25 H16 F8 O12 P4 Zr3 -
Comments: Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications 8 (2017) 15369
Space group: I 4/m
Cell volume: 17326
Cell parameters: 33.081; 33.081; 15.832; 90; 90; 90;

COD ID: 1547894
CIF file	Formula: - C208 H168 Cu24 O144 S8 - Comments: Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe Evolution of form in metalorganic frameworks Nature Communications 8 (2017) 14070 Space group: I 4/m Cell volume: 32169 Cell parameters: 28.535; 28.535; 39.508; 90; 90; 90;

COD ID: 1549392

Formula: - C60 H148 Cl42 O76 U38 -
Comments: Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry Formation of a new type of uranium(iv) poly-oxo cluster {U38} based on a controlled release of water via esterification reaction. Chemical science 9(22) (2018) 5021-5032
Space group: I 4/m
Cell volume: 11620.2
Cell parameters: 19.6962; 19.6962; 29.9535; 90; 90; 90;

COD ID: 1551164

Formula: - C228 H204 Cu24 N12 O144 -
Comments: Niu, Zheng; Wang, Lei; Fang, Sheng; Lan, Pui Ching; Aguila, Briana; Perman, Jason A.; Ma, Jian-Gong; Cheng, Peng; Li, Xiaopeng; Ma, Shengqian Solvent-assisted coordination driven assembly of a supramolecular architecture featuring two types of connectivity from discrete nanocages Chemical Science (2019)
Space group: I 4/m
Cell volume: 32603
Cell parameters: 28.6201; 28.6201; 39.803; 90; 90; 90;

COD ID: 1552056

Formula: - C80 H59 F11 N2 O37 Tb6 -
Comments: Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks Nature Chemistry 6 (2014) 673-680
Space group: I 4/m
Cell volume: 4635.6
Cell parameters: 15.2613; 15.2613; 19.903; 90; 90; 90;

COD ID: 1557166
CIF file	Formula: - Ba2 O14 Si4 V2 - Comments: Hans-Peter Bojar; Franz Walter; Judith Baumgartner Bavsiite, Ba2V2O2[Si4O12], mineral data and crystal structure Mineralogical Magazine 83 (2019) 821-827 Space group: I 4/m Cell volume: 567.65 Cell parameters: 7.0429; 7.0429; 11.444; 90; 90; 90;

COD ID: 1557307
CIF file	Formula: - Al7 B4 Li O17 - Comments: Ahman, Johan; Svensson, Goran; Grins, Jekabs Lithium Aluminium Borate, LiAl7B4O17 Acta Chemica Scandinavica 51 (1997) 1045-1050 Space group: I 4/m Cell volume: 625.49 Cell parameters: 10.5454; 10.5454; 5.6246; 90; 90; 90;

COD ID: 1559550
CIF file	Formula: - C44 H28 Cl2 N4 Ti - Comments: Christensen, A. Norlund; Grand, A.; Lehmann, M. S.; Cox, D. E. A Synchrotron X-Ray Powder Diffraction Study of the Structure of trans-Dichlorotitanium(IV) Tetraphenylporphyrin Acta Chemica Scandinavica 44 (1990) 103-105 Space group: I 4/m Cell volume: 1824.02 Cell parameters: 13.5956; 13.5956; 9.8681; 90; 90; 90;

COD ID: 1562187

Formula: - K1.55 Ni0.78 O16 Ti7.22 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 309.2
Cell parameters: 10.192; 10.192; 2.9764; 90; 90; 90;

COD ID: 1562188

Formula: - K1.51 O16 Sc1.51 Ti6.49 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 315.63
Cell parameters: 10.244; 10.244; 3.0077; 90; 90; 90;

COD ID: 1562189

Formula: - Cr1.54 K1.54 O16 Ti6.46 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 304.8
Cell parameters: 10.141; 10.141; 2.9637; 90; 90; 90;

COD ID: 1562190

Formula: - K1.6 O16 Ti6.4 V1.6 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 306.05
Cell parameters: 10.1539; 10.1539; 2.9684; 90; 90; 90;

COD ID: 1562191

Formula: - K1.36 O16 Ti8 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 312.33
Cell parameters: 10.2386; 10.2386; 2.9794; 90; 90; 90;

COD ID: 1562192

Formula: - Fe1.52 K1.53 O16 Ti6.48 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 305.894
Cell parameters: 10.153214; 10.153214; 2.96732; 90; 90; 90;

COD ID: 1562193

Formula: - K1.4 Mn1.36 O16 Ti6.64 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 306.372
Cell parameters: 10.185483; 10.185483; 2.953156; 90; 90; 90;

COD ID: 1562194

Formula: - Co0.73 K1.47 O16 Ti7.27 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 305.854
Cell parameters: 10.15689; 10.15689; 2.96478; 90; 90; 90;

COD ID: 1562195

Formula: - K1.63 Ni0.76 O16 Ti7.24 -
Comments: Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E. Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni Journal of Solid State Chemistry 220 (2014) 45-53
Space group: I 4/m
Cell volume: 305.072
Cell parameters: 10.146517; 10.146517; 2.963254; 90; 90; 90;

COD ID: 1562201

Formula: - F O10 Rb2 Sc Si4 -
Comments: Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M. One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization Journal of Solid State Chemistry 220 (2014) 79-90
Space group: I 4/m
Cell volume: 1053.36
Cell parameters: 11.2619; 11.2619; 8.3053; 90; 90; 90;

COD ID: 1563079

Formula: - Ba2 Ca O6 W -
Comments: Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W. Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides Journal of Solid State Chemistry 185 (2012) 107-116
Space group: I 4/m
Cell volume: 296.18
Cell parameters: 5.93741; 5.93741; 8.4015; 90; 90; 90;

COD ID: 1563082

Formula: - Mo O6 Sr2 Zn -
Comments: Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W. Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides Journal of Solid State Chemistry 185 (2012) 107-116
Space group: I 4/m
Cell volume: 249.276
Cell parameters: 5.58682; 5.58682; 7.9864; 90; 90; 90;

COD ID: 1567889

Formula: - C16 H28 I6 N4 Pb -
Comments: Febriansyah, Benny; Li, Yongxin; Giovanni, David; Salim, Teddy; Hooper, Thomas J. N.; Sim, Ying; Ma, Daphne; Laxmi, Shoba; Lekina, Yulia; Koh, Teck Ming; Shen, Ze Xiang; Pullarkat, Sumod A.; Sum, Tze Chien; Mhaisalkar, Subodh G.; Ager, Joel W.; Mathews, Nripan Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells. Materials horizons 10(2) (2023) 536-546
Space group: I 4/m
Cell volume: 3028.8
Cell parameters: 10.9954; 10.9954; 25.0526; 90; 90; 90;

COD ID: 1568020

Formula: - C30 H15 F2 N3 O6.62 Y1.5 -
Comments: Balkus, Kenneth J.; Abbas, Muhammad; Maceda, Amanda M.; Firouzi, Hamid R.; Xiao, Zhifeng; Arman, Hadi; Shi, Yanshu; Zhou, Hong-Cai Fluorine Extraction from Organofluorine Molecules to Make Fluorinated Clusters in Yttrium MOFs Chemical Science (2022)
Space group: I 4/m
Cell volume: 8166.85
Cell parameters: 17.7478; 17.7478; 25.9278; 90; 90; 90;

COD ID: 1568136

Formula: - Cu4 Na4.39 O Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 508.43
Cell parameters: 11.232; 11.232; 4.0301; 90; 90; 90;

COD ID: 1568139

Formula: - Cu4 Na4.55 O S4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 462.38
Cell parameters: 10.9081; 10.9081; 3.886; 90; 90; 90;

COD ID: 1568143

Formula: - Cu3.52 K4.33 O0.88 Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 674.5
Cell parameters: 12.335; 12.335; 4.433; 90; 90; 90;

COD ID: 1568148

Formula: - Ba9 Cu13.46 Na4 O8 S12 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 1638
Cell parameters: 20.247; 20.247; 3.9958; 90; 90; 90;

COD ID: 1568160

Formula: - Cu6.09 Rb Se4 -
Comments: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. Discovery of chalcogenides structures and compositions using mixed fluxes Nature 612(7938) (2022) 72-77
Space group: I 4/m
Cell volume: 443.24
Cell parameters: 10.561; 10.561; 3.974; 90; 90; 90;

COD ID: 1569672

Formula: - C224 H96 N8 O144 Ru24 -
Comments: Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra. Chemical science 14(35) (2023) 9543-9552
Space group: I 4/m
Cell volume: 29891.5
Cell parameters: 30.937; 30.937; 31.2314; 90; 90; 90;

COD ID: 1572218

Formula: - C42 H6 F20 N4 O2 S2 -
Comments: Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization. Chemical science 15(34) (2024) 13841-13852
Space group: I 4/m
Cell volume: 4192.35
Cell parameters: 12.3899; 12.3899; 27.31; 90; 90; 90;

COD ID: 1572507
CIF file	Formula: - Ba5 Co4 Gd8 O21 - Comments: Urushihara, D.; Maruyama, M.; Fukuda, K.; Asaka, T. Synthesis and structural characterization of gadolinium barium cobalt oxide Gd8Ba5Co4O21 with CoO5 square pyramids Journal of the Ceramic Society of Japan 132 (2024) 252-256 Space group: I 4/m Cell volume: 1113.59 Cell parameters: 13.8982; 13.8982; 5.7651; 90; 90; 90;

COD ID: 1572581
CIF file	Formula: - Ag30 O184 P8 W48 - Comments: Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate. Nanoscale 16(39) (2024) 18383-18388 Space group: I 4/m Cell volume: 28171.6 Cell parameters: 32.2143; 32.2143; 27.1465; 90; 90; 90;

COD ID: 1572714
CIF file	Formula: - C16 H26 Ag2 N4 O13 - Comments: Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science 15(43) (2024) 18067-18075 Space group: I 4/m Cell volume: 1173.2 Cell parameters: 11.321; 11.321; 9.154; 90; 90; 90;

COD ID: 1572715
CIF file	Formula: - C16 H24 Ag Cs N4 O12 - Comments: Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science 15(43) (2024) 18067-18075 Space group: I 4/m Cell volume: 1126.54 Cell parameters: 11.3504; 11.3504; 8.7443; 90; 90; 90;

COD ID: 1572718
CIF file	Formula: - C32 H48 Ag2 N8 O24 Rb2 - Comments: Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science 15(43) (2024) 18067-18075 Space group: I 4/m Cell volume: 1104.84 Cell parameters: 11.3963; 11.3963; 8.5069; 90; 90; 90;

COD ID: 1572719
CIF file	Formula: - C2 H3 Ag0.12 K0.12 N0.5 O1.5 - Comments: Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands. Chemical science 15(43) (2024) 18067-18075 Space group: I 4/m Cell volume: 1124 Cell parameters: 11.554; 11.554; 8.42; 90; 90; 90;

COD ID: 1574420

Formula: - C325 H377 Ag4 Cl32 Cu28 P8 S16 -
Comments: Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance. Materials horizons 12(14) (2025) 5252-5258
Space group: I 4/m
Cell volume: 16764.9
Cell parameters: 26.5679; 26.5679; 23.7512; 90; 90; 90;

COD ID: 1575257

Formula: - Na24 O180 U24 -
Comments: Samarasiri, Vidumini S.; Rajapaksha, Harindu; McGee, Sarah; Mason, Sara E.; Forbes, Tori Z. Formation of U(VI) peroxide nanoclusters from cascade reactions with a persulfate radical initiator. Dalton transactions (Cambridge, England : 2003) 54(35) (2025) 13129-13142
Space group: I 4/m
Cell volume: 8614.7
Cell parameters: 19.719; 19.719; 22.155; 90; 90; 90;

COD ID: 1575396

Formula: - C108 H64 O44 Zr6 -
Comments: Li, Hao; Amombo Noa, Francoise M.; Åhlén, Michelle; Cao, Zhejian; Andréasson, Joakim; Cheung, Ocean; Öhrström, Lars On metal-organic framework isomers, and the SF6 sorption and fluorescence of an In and a Zr MOF with a tritopic linker. Chemical communications (Cambridge, England) 61(74) (2025) 14129-14132
Space group: I 4/m
Cell volume: 11195.5
Cell parameters: 24.3152; 24.3152; 18.9359; 90; 90; 90;

COD ID: 1575537
CIF file	Formula: - C176 H216 F84 N32 P16 Pd8 - Comments: Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid. Chemical science 16(37) (2025) 17127-17138 Space group: I 4/m Cell volume: 18570.3 Cell parameters: 30.9423; 30.9423; 19.3961; 90; 90; 90;

COD ID: 2002535
CIF file	Formula: - Ba5 Mn4 Nd8 O21 - Comments: Mueller-Buschbaum, Hk; Kluever, E Ein neues Oxometallat mit Mangan(II): Ba5 Mn4 Nd8 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 612 (1992) 21-24 Space group: I 4/m Cell volume: 1183 Cell parameters: 14.2104; 14.2104; 5.8581; 90; 90; 90;

COD ID: 2002545
CIF file	Formula: - Ba5 Gd8 Mn4 O21 - Comments: Mueller-Buschbaum, Hk; Rabbow, C Die Kristallstruktur von Ba5 Mn4 Gd8 O21 Journal of Alloys Compd. 190 (1992) L27-L28 Space group: I 4/m Cell volume: 1135.5 Cell parameters: 13.996; 13.996; 5.7967; 90; 90; 90;

COD ID: 2002556
CIF file	Formula: - Ba5 Mn4 O21 Sm8 - Comments: Kluever, E; Peters, E; Mueller-Buschbaum, Hk Zwei weitere Oxometallate zum Ba5 Mn4 Ln8 O21-Typ: Ba5 Mn4 Sm8 O21 und Ba5 Mn4 Ho8 O21 Journal of Alloys Compd. 189 (1992) 101-105 Space group: I 4/m Cell volume: 1158.2 Cell parameters: 14.0911; 14.0911; 5.8329; 90; 90; 90;

COD ID: 2002557
CIF file	Formula: - Ba5 Ho8 Mn4 O21 - Comments: Kluever, E; Peters, E; Mueller-Buschbaum, Hk Zwei weitere Oxometallate zum Ba5 Mn4 Ln8 O21-Typ: Ba5 Mn4 Sm8 O21 und Ba5 Mn4 Ho8 O21 Journal of Alloys Compd. 189 (1992) 101-105 Space group: I 4/m Cell volume: 1102.2 Cell parameters: 13.8507; 13.8507; 5.7452; 90; 90; 90;

COD ID: 2002640
CIF file	Formula: - Ba5 Er8 O21 Zn4 - Comments: Rabbow, Ch; Mueller-Buschbaum, Hk Zur Kristallstruktur von Erdalkalimetall-Lanthanoid-Oxozinkaten: (I)Ba2 Tm2 Zn8 O13,(II)Ba2 Y2 Zn8 O13,(III)Ba Er2 Zn O5 und (IV)Ba5 Er8 Zn4 O21 Journal of Alloys Compd. 206 (1994) 163-167 Space group: I 4/m Cell volume: 1067.1 Cell parameters: 13.702; 13.702; 5.684; 90; 90; 90;

COD ID: 2002718
CIF file	Formula: - Bi1.9 Cu4 O16 V4 - Comments: Feldmann, J; Mueller-Buschbaum, Hk Kristallstrukturuntersuchung an einem wismuthaltigen Hollandit: Bi1.9 Cu4 V4 O16 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 1163-1166 Space group: I 4/m Cell volume: 288.3 Cell parameters: 9.945; 9.945; 2.915; 90; 90; 90;

COD ID: 2002745
CIF file	Formula: - Ba17 O57 Pt4 Yb16 Zn8 - Comments: Rabbow, C; Sfreddo, O; Mueller-Buschbaum, Hk Ueber ein Barium - Lanthanoid - Oxozinkat - Platinat(IV): Ba17 Yb16 Zn8 Pt4 O57 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 220-224 Space group: I 4/m Cell volume: 2930.7 Cell parameters: 22.73099; 22.73099; 5.672; 90; 90; 90;

COD ID: 2002781
CIF file	Formula: - Ba0.5 Bi0.9 O16 V8 - Comments: Feldmann, J; Mueller-Buschbaum, Hk Ueber einen Hollandit des Vanadiums: Ba0,5 Bi0,9 V8 O16 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 1037-1039 Space group: I 4/m Cell volume: 286 Cell parameters: 9.943; 9.943; 2.893; 90; 90; 90;

COD ID: 2002816
CIF file	Formula: - Ba17 O57 Pt4 Tm16 Zn8 - Comments: Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 623 (1997) 699-704 Space group: I 4/m Cell volume: 2943.9 Cell parameters: 22.758; 22.758; 5.684; 90; 90; 90;

COD ID: 2002817
CIF file	Formula: - Ba5 O21 Tm8 Zn4 - Comments: Sfreddo, O; Rabbow, C; Mueller-Buschbaum, Hk Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 623 (1997) 699-704 Space group: I 4/m Cell volume: 1055.6 Cell parameters: 13.652; 13.652; 5.664; 90; 90; 90;

COD ID: 2002834
CIF file	Formula: - Ba13 Dy8 O37 Pt4 Zn4 - Comments: Mueller-Buschbaum, Hk; Sfreddo, O Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der Zusammensetzung Ba13 Dy8 Zn4 Pt4 O37 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 553-556 Space group: I 4/m Cell volume: 1996.3 Cell parameters: 18.659; 18.659; 5.734; 90; 90; 90;

COD ID: 2002841
CIF file	Formula: - Ba17 Dy16 O57 Pt4 Zn8 - Comments: Sfreddo, O; Mueller-Buschbaum, Hk Weitere Verbindungen des Ba17 Ln16 Zn8 Pt4 O57-Typs mit Ln= Dy, Ho, Er, Y Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 1067-1071 Space group: I 4/m Cell volume: 3005.1 Cell parameters: 22.905; 22.905; 5.728; 90; 90; 90;

COD ID: 2002842
CIF file	Formula: - Ba17 Ho16 O57 Pt4 Zn8 - Comments: Sfreddo, O; Mueller-Buschbaum, Hk Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 1067-1071 Space group: I 4/m Cell volume: 2985 Cell parameters: 22.84029; 22.84029; 5.722; 90; 90; 90;

COD ID: 2002843
CIF file	Formula: - Ba17 Er16 O57 Pt4 Zn8 - Comments: Sfreddo, O; Mueller-Buschbaum, Hk Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 1067-1071 Space group: I 4/m Cell volume: 2962 Cell parameters: 22.79538; 22.79538; 5.7003; 90; 90; 90;

COD ID: 2002844
CIF file	Formula: - Ba17 O57 Pt4 Y16 Zn8 - Comments: Sfreddo, O; Mueller-Buschbaum, Hk Weitere Verbindungen zum Ba17 Ln16 Zn8 Pt4 O57-Typ mit Ln= Dy, Ho, Er, Y Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 1067-1071 Space group: I 4/m Cell volume: 2980.2 Cell parameters: 22.84839; 22.84839; 5.7086; 90; 90; 90;

COD ID: 2003034
CIF file	Formula: - Mo6 O12 Pr - Comments: Barrier, N.; Tortelier, J.; Gougeon, P. A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~ Acta Crystallographica, Section E 57 (2001) i3-i5 Space group: I 4/m Cell volume: 850.38 Cell parameters: 9.9147; 9.9147; 8.6508; 90; 90; 90;

COD ID: 2003105
CIF file Original IUCr paper	Formula: - Bi14 O24 W - Comments: Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S. Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data Acta Crystallographica Section B 55(3) (1999) 306-312 Space group: I 4/m Cell volume: 1314.37 Cell parameters: 8.71083; 8.71083; 17.32202; 90; 90; 90;

COD ID: 2003106
CIF file Original IUCr paper	Formula: - Bi14 Mo O24 - Comments: Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S. Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data Acta Crystallographica Section B 55(3) (1999) 306-312 Space group: I 4/m Cell volume: 1313.2 Cell parameters: 8.70839; 8.70839; 17.31634; 90; 90; 90;

COD ID: 2003882
CIF file Original IUCr paper	Formula: - Al3 F19 Pb5 - Comments: Sarraute, S.; Ravez, J.; Bravic, G.; Chasseau, D.; Abrahams, S. C. Paraelastic Pb~5~Al~3~F~19~ at 370 K Acta Crystallographica Section C 51(9) (1995) 1731-1732 Space group: I 4/m Cell volume: 1474.8 Cell parameters: 14.285; 14.285; 7.227; 90; 90; 90;

COD ID: 2004471
CIF file Original IUCr paper	Formula: - C44 H28 Cl Mn N4 - Comments: Cheng, B.; Scheidt, W. R. Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/<i>m</i> Symmetry Acta Crystallographica Section C 52(2) (1996) 361-363 Space group: I 4/m Cell volume: 1787.9 Cell parameters: 13.463; 13.463; 9.864; 90; 90; 90;

COD ID: 2007415
CIF file Original IUCr paper	Formula: - As Nb9 O25 - Comments: Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh A Niobium(V) Arsenate: Nb~9~AsO~25~ Acta Crystallographica Section C 54(7) (1998) 898-900 Space group: I 4/m Cell volume: 940 Cell parameters: 15.6684; 15.6684; 3.829; 90; 90; 90;

COD ID: 2007791
CIF file Original IUCr paper	Formula: - C12 H18 Cu F6 P S6 - Comments: Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Maekawa, Masahiko; Morimoto, Hiroshi A Linear-Chain Copper(I) Coordination Polymer with Hexakis(methylthio)benzene Acta Crystallographica Section C 54(11) (1998) 1566-1569 Space group: I 4/m Cell volume: 2068 Cell parameters: 10.901; 10.901; 17.403; 90; 90; 90;

COD ID: 2008288
CIF file Original IUCr paper	Formula: - C8 H24 Ca Cu O14 - Comments: El-Bali, Brahim; Bolte, Michael Redetermination of [CaCu(C~2~H~3~O~2~)~4~(H~2~ O)~2~]^.^6H~2~O at 173 K Acta Crystallographica Section C 55(3) (1999) IUC9900015 Space group: I 4/m Cell volume: 1991.9 Cell parameters: 11.078; 11.078; 16.231; 90; 90; 90;

COD ID: 2008329
CIF file Original IUCr paper	Formula: - Sb4 Ta5 - Comments: Kang, Sung Kwon; Miller, Gordon J. Ta~5~Sb~4~ Acta Crystallographica Section C 55(4) (1999) 483-485 Space group: I 4/m Cell volume: 371.15 Cell parameters: 10.2357; 10.2357; 3.5425; 90; 90; 90;

COD ID: 2010924

Formula: - C25 H29 Cl5 I6 N4 Si -
Comments: Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael trans-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate Acta Crystallographica Section C 56(5) (2000) 614-615
Space group: I 4/m
Cell volume: 4011.9
Cell parameters: 16.241; 16.241; 15.21; 90; 90; 90;

COD ID: 2013344

Formula: - C40 H36 Au F20 N S4 -
Comments: Seiji Watase; Takayuki Kitamura; Nobuko Kanehisa; Masami Nakamoto; Yasushi Kai; Shozo Yanagida Tetra-n-butylammonium tetrakis(pentafluorobenzenethiolato-κS)aurate(III) Acta Crystallographica Section C 59(5) (2003) m162-m164
Space group: I 4/m
Cell volume: 4790.6
Cell parameters: 14.7427; 14.7427; 22.0412; 90; 90; 90;

COD ID: 2013389
CIF file Original IUCr paper	Formula: - La16 O17 S17.75 Ti5 - Comments: Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9) Acta Crystallographica Section C 59(7) (2003) i63-i64 Space group: I 4/m Cell volume: 2061.9 Cell parameters: 22.633; 22.633; 4.0252; 90; 90; 90;

COD ID: 2013703

Formula: - Co H8 O14 P2 V2 -
Comments: Bi-Zhou Lin; Xiao-Ke Pei; Pei-De Liu Tetraaquacobalt(II) bis[vanadyl(IV) phosphate], [Co(H~2~O)~4~][VO(PO~4~)]~2~ Acta Crystallographica Section C 59(10) (2003) i97-i99
Space group: I 4/m
Cell volume: 541.58
Cell parameters: 6.307; 6.307; 13.615; 90; 90; 90;

COD ID: 2015211
CIF file Original IUCr paper	Formula: - C16 H24 N8 O24 Pd8 - Comments: Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I. [Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data Acta Crystallographica Section C 61(10) (2005) m445-m447 Space group: I 4/m Cell volume: 2110.04 Cell parameters: 17.5504; 17.5504; 6.8504; 90; 90; 90;

COD ID: 2017265

Formula: - Co0.5 H4 O7 P V -
Comments: Meng, Lianxia; Ma, Yuping; Zhang, Xiaoliang; Xu, Yan Co~0.50~VOPO~4~·2H~2~O Acta Crystallographica Section C 65(8) (2009) i45-i47
Space group: I 4/m
Cell volume: 524.61
Cell parameters: 6.257; 6.257; 13.4; 90; 90; 90;

COD ID: 2020350
CIF file	Formula: - Ga40.88 Mo8 S0.86 - Comments: Wolcyrz, M.; Andruszkiewicz, R.; Lukaszewicz, K. Structure of Mo8 Ga41 S Acta Crystallographica C (39,1983-) 45 (1989) 991-993 Space group: I 4/m Cell volume: 874.002 Cell parameters: 12.861; 12.861; 5.284; 90; 90; 90;

COD ID: 2023189
CIF file Original IUCr paper	Formula: - Bi F5 - Comments: Wassermann, Tobias Burghardt; Kraus, Florian Rerefinement of the crystal structure of BiF5 Acta Crystallographica Section E Crystallographic Communications 80(8) (2024) Space group: I 4/m Cell volume: 175.48 Cell parameters: 6.4439; 6.4439; 4.226; 90; 90; 90;

COD ID: 2100332

Formula: - Al0.21 Ga1.93 K0.152 O7 Ti1.86 -
Comments: Michiue, Yuichi; Yoshikado, Shinzo X-ray diffraction study for one-dimensional ionic conductors K~x~(Ga~1{-~y}Al~y~)~2+x~Ti~2{-~x}O~7~ (x ≃0.14, y ≃0.10, 0.23, 0.39) Acta Crystallographica Section B 61(6) (2005) 608-615
Space group: I 4/m
Cell volume: 979.8
Cell parameters: 18.0971; 18.0971; 2.9916; 90; 90; 90;

COD ID: 2100333

Formula: - Al0.49 Ga1.65 K0.155 O7 Ti1.86 -
Comments: Michiue, Yuichi; Yoshikado, Shinzo X-ray diffraction study for one-dimensional ionic conductors K~x~(Ga~1{-~y}Al~y~)~2+x~Ti~2{-~x}O~7~ (x ≃0.14, y ≃0.10, 0.23, 0.39) Acta Crystallographica Section B 61(6) (2005) 608-615
Space group: I 4/m
Cell volume: 973.3
Cell parameters: 18.0606; 18.0606; 2.9839; 90; 90; 90;

COD ID: 2100334

Formula: - Al0.84 Ga1.3 K0.157 O7 Ti1.86 -
Comments: Michiue, Yuichi; Yoshikado, Shinzo X-ray diffraction study for one-dimensional ionic conductors K~x~(Ga~1{-~y}Al~y~)~2+x~Ti~2{-~x}O~7~ (x ≃0.14, y ≃0.10, 0.23, 0.39) Acta Crystallographica Section B 61(6) (2005) 608-615
Space group: I 4/m
Cell volume: 965.1
Cell parameters: 18.0088; 18.0088; 2.9759; 90; 90; 90;

COD ID: 2100515

Formula: - Cr O6 Sr2 Ta -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: I 4/m
Cell volume: 244.954
Cell parameters: 5.57516; 5.57516; 7.8808; 90; 90; 90;

COD ID: 2100516

Formula: - Ga O6 Sr2 Ta -
Comments: Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of A~2~M^3+^TaO~6~ and A~2~M^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B 62(3) (2006) 384-396
Space group: I 4/m
Cell volume: 245.413
Cell parameters: 5.57539; 5.57539; 7.8949; 90; 90; 90;

COD ID: 2101045
CIF file Original IUCr paper	Formula: - K O16 Ti8 - Comments: Sasaki, T.; Watanabe, M.; Fujiki, Y. Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~ Acta Crystallographica Section B 49(5) (1993) 838-841 Space group: I 4/m Cell volume: 306.75 Cell parameters: 10.1776; 10.1776; 2.9614; 90; 90; 90;

COD ID: 2101046
CIF file Original IUCr paper	Formula: - K0 O16 Ti8 - Comments: Sasaki, T.; Watanabe, M.; Fujiki, Y. Structure of K~1.0~Ti~8~O~16~ and K~0.0~Ti~8~O~16~ Acta Crystallographica Section B 49(5) (1993) 838-841 Space group: I 4/m Cell volume: 306.11 Cell parameters: 10.164; 10.164; 2.9631; 90; 90; 90;

COD ID: 2102863
CIF file Original IUCr paper	Formula: - K1.56 Mg0.78 O16 Ti7.22 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 306.58 Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;

COD ID: 2102864
CIF file Original IUCr paper	Formula: - K1.55 Mg0.77 O16 Ti7.23 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 306.58 Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;

COD ID: 2102865
CIF file Original IUCr paper	Formula: - K1.53 Mg0.77 O16 Ti7.23 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 306.58 Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;

COD ID: 2102866
CIF file Original IUCr paper	Formula: - K1.54 Mg0.77 O16 Ti7.23 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 306.58 Cell parameters: 10.1541; 10.1541; 2.9735; 90; 90; 90;

COD ID: 2102867
CIF file Original IUCr paper	Formula: - Mg0.75 O16 Rb1.51 Ti7.25 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 309.49 Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;

COD ID: 2102868
CIF file Original IUCr paper	Formula: - Mg0.75 O16 Rb1.51 Ti7.25 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 309.49 Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;

COD ID: 2102869
CIF file Original IUCr paper	Formula: - Mg0.75 O16 Rb1.5 Ti7.25 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 309.49 Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;

COD ID: 2102870
CIF file Original IUCr paper	Formula: - Mg0.75 O16 Rb1.5 Ti7.25 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 309.49 Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;

COD ID: 2102871
CIF file Original IUCr paper	Formula: - Mg0.76 O16 Rb1.51 Ti7.24 - Comments: Michiue, Yuichi Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb) Acta Crystallographica, Section B 63(4) (2007) 577-583 Space group: I 4/m Cell volume: 309.49 Cell parameters: 10.2052; 10.2052; 2.9717; 90; 90; 90;

COD ID: 2105365
CIF file	Formula: - Ag4 Lu - Comments: McMasters, O.D.; Gschneidner, K.A.jr.; Venteicher, R.F. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1224-1229 Space group: I 4/m Cell volume: 184.967 Cell parameters: 6.6696; 6.6696; 4.1581; 90; 90; 90;

COD ID: 2105374
CIF file	Formula: - Ag4 Sc - Comments: Venteicher, R.F.; Gschneidner, K.A.jr.; McMasters, O.D. Crystallography of the silver-rich rare earth-silver intermetallic compounds Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1224-1229 Space group: I 4/m Cell volume: 175.835 Cell parameters: 6.574; 6.574; 4.0686; 90; 90; 90;

COD ID: 2105393
CIF file	Formula: - Au3.96 Cr1.04 - Comments: Watanabe, Y.; Iwasaki, H. Lattice modulation in the Mo Ni4-type structure of Au4 Cr Acta Crystallographica B (39,1983-) 40 (1984) 373-376 Space group: I 4/m Cell volume: 165.621 Cell parameters: 6.398; 6.398; 4.046; 90; 90; 90;

COD ID: 2106590
CIF file	Formula: - Al1.1 Ba0.98 Ca0.03 Ni0.48 O16 Ti6.4 Zr0.02 - Comments: Sinclair, W.; McLaughlin, G.M.; Ringwood, A.E. The Structure and Chemistry of a Barium Titanate Hollandite-Type Phase Acta Crystallographica B (24,1968-38,1982) 36 (1980) 2913-2918 Space group: I 4/m Cell volume: 296.6 Cell parameters: 10.039; 10.039; 2.943; 90; 90; 90;

COD ID: 2107632
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2096.03 Cell parameters: 20.275; 20.275; 5.0989; 90; 90; 90;

COD ID: 2107633
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2096.03 Cell parameters: 20.275; 20.275; 5.0989; 90; 90; 90;

COD ID: 2107634
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2019.8 Cell parameters: 19.924; 19.924; 5.088; 90; 90; 90;

COD ID: 2107635
CIF file HKL data	Formula: - C21 H27 Cl N2 - Comments: Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B 72(4) (2016) 571-583 Space group: I 4/m Cell volume: 2019.8 Cell parameters: 19.924; 19.924; 5.088; 90; 90; 90;

COD ID: 2108654
CIF file	Formula: - F30 Ga5 K15 - Comments: King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B 76(5) (2020) Space group: I 4/m Cell volume: 1606.86 Cell parameters: 13.6088; 13.6088; 8.6764; 90; 90; 90;

COD ID: 2210809

Formula: - Cd3 Na O4 Rb -
Comments: Kerp, Oliver; Möller, Angela Rubidium sodotricadmate, Rb[NaCd~3~O~4~] Acta Crystallographica Section E 62(10) (2006) i204-i206
Space group: I 4/m
Cell volume: 296.35
Cell parameters: 8.957; 8.957; 3.6939; 90; 90; 90;

COD ID: 2212911

Formula: - C44 H28 Cu N4 -
Comments: He, Hong-Shan A second polymorph of (5,10,15,20-tetraphenylporphyrinato)copper(II) Acta Crystallographica Section E 63(4) (2007) m976-m977
Space group: I 4/m
Cell volume: 1741.4
Cell parameters: 13.3747; 13.3747; 9.7348; 90; 90; 90;

COD ID: 2222910

Formula: - C14 H19 N O3 -
Comments: Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate Acta Crystallographica Section E 65(8) (2009) o2039
Space group: I 4/m
Cell volume: 2797.3
Cell parameters: 19.938; 19.938; 7.0367; 90; 90; 90;

COD ID: 2230980

Formula: - Ba11 Br34 La4 -
Comments: Eagleman, Yetta; Wu, Guang; Gundiah, Gautam; Bourret-Courchesne, Edith; Derenzo, Stephen Ba~11~La~4~Br~34~: a new barium lanthanum bromide Acta Crystallographica, Section E 67(10) (2011) i53-i54
Space group: I 4/m
Cell volume: 3246.1
Cell parameters: 11.909; 11.909; 22.888; 90; 90; 90;

COD ID: 2239348

Formula: - Nb9 O25 V -
Comments: Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed β-Nb9VO25 Acta Crystallographica Section E Structure Reports Online 70(5) (2014) i20
Space group: I 4/m
Cell volume: 955.27
Cell parameters: 15.7726; 15.7726; 3.8399; 90; 90; 90;

COD ID: 2240460
CIF file HKL data	Formula: - C44 H28 Br4 Mg N4 O2 - Comments: Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium Acta Crystallographica Section E 71(3) (2015) m73-m74 Space group: I 4/m Cell volume: 2066.9 Cell parameters: 14.8313; 14.8313; 9.3966; 90; 90; 90;

COD ID: 2244183

Formula: - C36 H39 Cl3 N8 O2 -
Comments: van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J. Synthesis and structure of clozapine N-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[n]catenane Acta Crystallographica Section E 78(10) (2022)
Space group: I 4/m
Cell volume: 7798
Cell parameters: 17.305; 17.305; 26.04; 90; 90; 90;

COD ID: 2310297
CIF file	Formula: - Ce5 Mg41 - Comments: Johnson, Q.; Smith, G.S. The crystal structure of Ce5 Mg42 Acta Crystallographica (1,1948-23,1967) 22 (1967) 360-365 Space group: I 4/m Cell volume: 2278.42 Cell parameters: 14.78; 14.78; 10.43; 90; 90; 90;

COD ID: 2310382
CIF file	Formula: - Cu3 H12 N4 Na4 O12 S8 - Comments: Ferrari, A.; Braibanti, A.; Tiripicchio, A. The crystal structure of tetrasodium tetramminecopper(II) di-catena-di-mue-thiosulphato-cuprate(I) Acta Crystallographica (1,1948-23,1967) 21 (1966) 605-610 Space group: I 4/m Cell volume: 1098.97 Cell parameters: 13.814; 13.814; 5.759; 90; 90; 90;

COD ID: 2310397
CIF file	Formula: - Te4 Ti5 - Comments: Gronvold, F.; Kjekshus, A.; Raaum, F. The crystal structure of Ti5 Te4 Acta Crystallographica (1,1948-23,1967) 14 (1961) 930-934 Space group: I 4/m Cell volume: 389.674 Cell parameters: 10.164; 10.164; 3.772; 90; 90; 90;

COD ID: 2310472
CIF file	Formula: - Al K O8 Si3 - Comments: Ringwood, A.E.; Reid, A.F.; Wadsley, A.D. High pressure Al Si3 O8, an aluminosilicate with sixfold coordination Acta Crystallographica (1,1948-23,1967) 23 (1967) 1093-1095 Space group: I 4/m Cell volume: 241.077 Cell parameters: 9.38; 9.38; 2.74; 90; 90; 90;

COD ID: 2310960
CIF file	Formula: - H1.98 Hf - Comments: Sidhu, S.S. The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride Acta Crystallographica (1,1948-23,1967) 7 (1954) 447-449 Space group: I 4/m Cell volume: 52.646 Cell parameters: 3.461; 3.461; 4.395; 90; 90; 90;

COD ID: 2310961
CIF file	Formula: - H2 Hf - Comments: Sidhu, S.S. The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride Acta Crystallographica (1,1948-23,1967) 7 (1954) 447-449 Space group: I 4/m Cell volume: 52.753 Cell parameters: 3.478; 3.478; 4.361; 90; 90; 90;

COD ID: 2310998
CIF file	Formula: - C2 H4.4 Ca O6.2 - Comments: Sterling, C. Crystal structure analysis of weddellite, Ca C2 O4 * (2+x)H2 O Acta Crystallographica (1,1948-23,1967) 18 (1965) 917-921 Space group: I 4/m Cell volume: 1110.47 Cell parameters: 12.3; 12.3; 7.34; 90; 90; 90;

COD ID: 2311065
CIF file	Formula: - Al0.264 Ba0.47 Fe0.64 H1.414 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 - Comments: Bystroem, A.; Bystroem, A.M. The crystal structure of hollandite, the related manganese oxide minerals, and alpha-Mn O2 Acta Crystallographica (1,1948-23,1967) 3 (1950) 146-154 Space group: I 4/m Cell volume: 274.674 Cell parameters: 9.8; 9.8; 2.86; 90; 90; 90;

COD ID: 2312395

Formula: - C52 H40 F4 N4 Pt -
Comments: Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K. Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II). Acta crystallographica. Section C, Structural chemistry 80(3) (2024)
Space group: I 4/m
Cell volume: 2692.1
Cell parameters: 17.1883; 17.1883; 9.1123; 90; 90; 90;

COD ID: 2312554

Formula: - C28 H20 Br5 N6 Sb -
Comments: Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding. Acta crystallographica. Section C, Structural chemistry 80(8) (2024)
Space group: I 4/m
Cell volume: 4149.5
Cell parameters: 23.8054; 23.8054; 7.3222; 90; 90; 90;

COD ID: 3500061
CIF file	Formula: - F5 Ga Pb - Comments: Armel Le Bail Rietveld refinement of the crystal structure of PbGaF5 in the BaTiF5 structure type, I4/m Personal communication to COD (2016) Space group: I 4/m Cell volume: 1534.62 Cell parameters: 14.4782; 14.4782; 7.321; 90; 90; 90;

COD ID: 4000724

Formula: - O3 Pb Ti -
Comments: Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate Chemistry of Materials 23(10) (2011) 2529
Space group: I 4/m
Cell volume: 585.971
Cell parameters: 12.3853; 12.3853; 3.82; 90; 90; 90;

COD ID: 4001241

Formula: - K0.07 Mn0.5 O W0 -
Comments: Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L. Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material Chemistry of Materials 20(20) (2008) 6382
Space group: I 4/m
Cell volume: 275.082
Cell parameters: 9.81605; 9.81605; 2.85489; 90; 90; 90;

COD ID: 4001242

Formula: - K0.064 Mn0.494 O W0.006 -
Comments: Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L. Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material Chemistry of Materials 20(20) (2008) 6382
Space group: I 4/m
Cell volume: 274.137
Cell parameters: 9.80411; 9.80411; 2.85201; 90; 90; 90;

COD ID: 4001892

Formula: - C192 H96 Cu12 N40 O60 -
Comments: Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K. Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties Chemistry of Materials 26(5) (2014) 1912
Space group: I 4/m
Cell volume: 60986
Cell parameters: 34.6853; 34.6853; 50.6917; 90; 90; 90;

COD ID: 4002058

Formula: - Al2 Ca Mg2 N4 -
Comments: Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials 26(21) (2014) 6113
Space group: I 4/m
Cell volume: 213.74
Cell parameters: 8.0655; 8.0655; 3.2857; 90; 90; 90;

COD ID: 4002059

Formula: - Al2 Mg2 N4 Sr -
Comments: Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials 26(21) (2014) 6113
Space group: I 4/m
Cell volume: 218.32
Cell parameters: 8.1008; 8.1008; 3.3269; 90; 90; 90;

COD ID: 4002060

Formula: - Al2 Ba Mg2 N4 -
Comments: Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials 26(21) (2014) 6113
Space group: I 4/m
Cell volume: 234.17
Cell parameters: 8.2602; 8.2602; 3.432; 90; 90; 90;

COD ID: 4002061

Formula: - Al2 Eu Mg2 N4 -
Comments: Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials 26(21) (2014) 6113
Space group: I 4/m
Cell volume: 222.26
Cell parameters: 8.1539; 8.1539; 3.343; 90; 90; 90;

COD ID: 4002062

Formula: - Ba Ga2 Mg2 N4 -
Comments: Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials 26(21) (2014) 6113
Space group: I 4/m
Cell volume: 240.81
Cell parameters: 8.3654; 8.3654; 3.4411; 90; 90; 90;

COD ID: 4002438
CIF file	Formula: - O2 Si - Comments: Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T. Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials Chemistry of Materials (1,1989-) 18 (2006) 1464-1469 Space group: I 4/m Cell volume: 1963.12 Cell parameters: 13.68; 13.68; 10.49; 90; 90; 90;

COD ID: 4002686

Formula: - Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 -
Comments: Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes Chemistry of Materials 28(19) (2016) 6822-6825
Space group: I 4/m
Cell volume: 224.468
Cell parameters: 8.176483; 8.176483; 3.35754; 90; 90; 90;

COD ID: 4003026

Formula: - Ba Be20 N14 -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 522.4
Cell parameters: 6.54; 6.54; 12.214; 90; 90; 90;

COD ID: 4003027

Formula: - Be20 Eu N14 -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 516.54
Cell parameters: 6.5241; 6.5241; 12.1357; 90; 90; 90;

COD ID: 4003028

Formula: - Be20 N14 Sr -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 516.6
Cell parameters: 6.525; 6.525; 12.133; 90; 90; 90;

COD ID: 4003052

Formula: - C11.75 H11.75 N11.75 O11.75 Zn11.75 -
Comments: Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks Chemistry of Materials 31(18) (2019) 7584
Space group: I 4/m
Cell volume: 7575.1
Cell parameters: 13.3591; 13.3591; 42.446; 90; 90; 90;

COD ID: 4003084

Formula: - Cl3 Cs In -
Comments: McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials (2019)
Space group: I 4/m
Cell volume: 3261.8
Cell parameters: 17.188; 17.188; 11.041; 90; 90; 90;

COD ID: 4003085

Formula: - Br3 Cs In -
Comments: McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials (2019)
Space group: I 4/m
Cell volume: 3695.2
Cell parameters: 17.8982; 17.8982; 11.5351; 90; 90; 90;

COD ID: 4003086

Formula: - Cl3 Cs In -
Comments: McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials (2019)
Space group: I 4/m
Cell volume: 3188.82
Cell parameters: 17.0057; 17.0057; 11.0266; 90; 90; 90;

COD ID: 4003216
CIF file	Formula: - C33 H24 Cu3 N6 O18 - 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: I 4/m Cell volume: 41091.2 Cell parameters: 30.4638; 30.4638; 44.2772; 90; 90; 90;

COD ID: 4003217
CIF file	Formula: - C33 H24 N6 O18 Zn3 - 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: I 4/m Cell volume: 41944 Cell parameters: 30.5919; 30.5919; 44.8181; 90; 90; 90;

COD ID: 4003365
CIF file	Formula: - C276 H180 Cu24 N24 O144 - Comments: Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D. Mechanochemical Synthesis of Porous Molecular Assemblies Chemistry of Materials 30(12) (2018) 3975 Space group: I 4/m Cell volume: 49708 Cell parameters: 32.5662; 32.5662; 46.87; 90; 90; 90;

COD ID: 4003374

Formula: - C8 H48 I44 N8 Pb18 -
Comments: Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium Chemistry of Materials 30(15) (2018) 5237
Space group: I 4/m
Cell volume: 16693
Cell parameters: 23.279; 23.279; 30.804; 90; 90; 90;

COD ID: 4003686

Formula: - C114 H80 Ce38 O114 -
Comments: Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K. Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters Chemistry of Materials (2020)
Space group: I 4/m
Cell volume: 18880.6
Cell parameters: 23.2865; 23.2865; 34.8183; 90; 90; 90;

COD ID: 4024886
CIF file	Formula: - C39 H36 N2 O6 - Comments: David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes Journal of Organic Chemistry 74 (2009) 7544-7547 Space group: I 4/m Cell volume: 6983.9 Cell parameters: 20.4461; 20.4461; 16.7061; 90; 90; 90;

COD ID: 4027347