Search results

Formula: - B2 Cu2 O6 Sr -
Comments: Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2 The European Physical Journal B 19 (2001) 507-516
Space group: I -4 2 m
Cell volume: 537.364
Cell parameters: 8.9906; 8.9906; 6.648; 90; 90; 90;

COD ID: 1508227
CIF file	Formula: - C8 Co8 N8 O34 P8 - Comments: Feng, Pingyun; Bu, Xianhui; Stucky, Galen D. Hydrothermal syntheses and structural characterization of zeolite analogue compounds based on cobalt phosphate Nature 388 (1997) 735-741 Space group: I -4 2 m Cell volume: 1012.09 Cell parameters: 10.24; 10.24; 9.652; 90; 90; 90;

COD ID: 1509658
CIF file	Formula: - Ag2 K P S4 - Comments: Wu Yuandong; Bensch, W. Syntheses, crystal structures and spectroscopic properties of Ag2 Nb [P2 S6] [S2] and K Ag2 [P S4] Journal of Solid State Chemistry 182 (2009) 471-478 Space group: I -4 2 m Cell volume: 360.952 Cell parameters: 6.6471; 6.6471; 8.1693; 90; 90; 90;

COD ID: 1509659
CIF file	Formula: - Ag2 K S4 Sb - Comments: Pennington, W.T.; Schimek, G.L.; Wood, P.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry 123 (1996) 277-284 Space group: I -4 2 m Cell volume: 400.105 Cell parameters: 6.886; 6.886; 8.438; 90; 90; 90;

COD ID: 1509661
CIF file	Formula: - Ag2 K2 Sn Te4 - Comments: Sironi, A.; Li, J.; Guo, H.-Y.; Proserpio, D.M. Exploring tellurides: synthesis and characterization of new binary,ternary and quaternary compounds Journal of Solid State Chemistry 117 (1995) 247-255 Space group: I -4 2 m Cell volume: 566.14 Cell parameters: 8.732; 8.732; 7.425; 90; 90; 90;

COD ID: 1510273
CIF file	Formula: - Au Pb3 - Comments: Wang, R.; Giessen, B.C. A B-element-rich representative of the alpha - V3 S type: Au Pb3 Metallurgical Transactions 2 (1971) 2195-2197 Space group: I -4 2 m Cell volume: 840.515 Cell parameters: 11.959; 11.959; 5.877; 90; 90; 90;

COD ID: 1511152
CIF file	Formula: - B Fe2 - Comments: Mueller, A.; Wever, F. Ueber das Zweistoffsystem Eisen-Bor und ueber die Struktur des Eisenborides Fe4 B2 Zeitschrift fuer Anorganische und Allgemeine Chemie 192 (1930) 317-336 Space group: I -4 2 m Cell volume: 110.196 Cell parameters: 5.098; 5.098; 4.24; 90; 90; 90;

COD ID: 1516424
CIF file	Formula: - H4 Li2.79 Mg2.66 N4 - Comments: Weidner, Eveline; Dolci, Francesco; Hu, Jianjiang; Lohstroh, Wiebke; Hansen, Thomas; Bull, Daniel J.; Fichtner, Maximilian Hydrogenation Reaction Pathway in Li2Mg(NH)2 The Journal of Physical Chemistry C 113(35) (2009) 15772 Space group: I -4 2 m Cell volume: 253.13 Cell parameters: 5.12981; 5.12981; 9.6191; 90; 90; 90;

COD ID: 1519071
CIF file	Formula: - C2 H12 Al0.32 Co1.68 N2 O9 P2 - Comments: Christensen, A. Norlund; Hazell, R. G. Use of Hydrofluoric Acid as Mineralizer in Hydrothermal and Organothermal Synthesis of Me2±Substituted Aluminophosphates. I. Acta Chemica Scandinavica 53 (1999) 403-409 Space group: I -4 2 m Cell volume: 994.01 Cell parameters: 10.1724; 10.1724; 9.606; 90; 90; 90;

COD ID: 1520107

Formula: - Ag0.2 Cd0.75 In2.1 Te4 -
Comments: Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties. Inorganic chemistry 54(12) (2015) 5745-5756
Space group: I -4 2 m
Cell volume: 483.684
Cell parameters: 6.22687; 6.22687; 12.47448; 90; 90; 90;

COD ID: 1520108

Formula: - Ag0.5 In2.5 Te4 -
Comments: Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties. Inorganic chemistry 54(12) (2015) 5745-5756
Space group: I -4 2 m
Cell volume: 478.476
Cell parameters: 6.20368; 6.20368; 12.43258; 90; 90; 90;

COD ID: 1520110

Formula: - Ag0.25 Cd0.5 In2.25 Te4 -
Comments: Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties. Inorganic chemistry 54(12) (2015) 5745-5756
Space group: I -4 2 m
Cell volume: 480.9
Cell parameters: 6.21342; 6.21342; 12.45643; 90; 90; 90;

COD ID: 1522077
CIF file	Formula: - La7 Ni16 - Comments: Klimyenko, A.V.; Seuntjens, J.; Jacobson, R.A.; Beaudry, B.J.; Miller, L.L.; Gschneidner, K.A.jr. Structure of La Ni2.286 and the La-Ni system from La Ni1.75 - La Ni2.5 Journal of the Less-Common Metals 144 (1988) 133-141 Space group: I -4 2 m Cell volume: 784.933 Cell parameters: 7.355; 7.355; 14.51; 90; 90; 90;

COD ID: 1526212
CIF file	Formula: - Cu2 Ge Se4 Zn - Comments: Parasyuk, O.V.; Romanyuk, Ya.E.; Gulay, L.D.; Piskach, L.V. Phase diagram of the Cu2 Ge Se3 - Zn Se system and crystal structure of the Cu2 Zn Ge Se4 compound Journal of Alloys Compd. 329 (2001) 202-207 Space group: I -4 2 m Cell volume: 347.685 Cell parameters: 5.61043; 5.61043; 11.0457; 90; 90; 90;

COD ID: 1527571
CIF file	Formula: - Al1.11 Ca11.76 Cl1.05 O19.82 Si3.33 - Comments: Ilyukhin, V.V.; Nevskii, N.N.; Howie, R.A.; Bickbau, M.J. Crystal structure of alinite Nature (London) 269 (1977) 397-398 Space group: I -4 2 m Cell volume: 944.867 Cell parameters: 10.4714; 10.4714; 8.6171; 90; 90; 90;

COD ID: 1527617
CIF file	Formula: - Cu3.75 Hg1.75 S8 Sn2 - Comments: Kaplunnik, L.N.; Pobedimskaya, E.A.; Belov, N.V. Crystal structure of velikite Cu3.75 Hg1.75 Sn2 S8 Kristallografiya 22 (1977) 175-177 Space group: I -4 2 m Cell volume: 335.026 Cell parameters: 5.542; 5.542; 10.908; 90; 90; 90;

COD ID: 1529726
CIF file	Formula: - Ga2 S4 Zn - Comments: Carpenter, G.B.; Wold, A.; Wu, P.; Gao, Y.M. Redetermination of crystal structure of zinc thiogallate Materials Research Bulletin 24 (1989) 1077-1082 Space group: I -4 2 m Cell volume: 290.767 Cell parameters: 5.297; 5.297; 10.363; 90; 90; 90;

COD ID: 1529824
CIF file	Formula: - Cl Cs F3 Sb - Comments: Ducourant, M.B.; Fourcade, R.; Mascherpa, G. Sur les compsoes chlorofluores de l'antimoine III: etude structurale de Cs Sb Cl F3 Journal of Fluorine Chemistry 11 (1978) 149-157 Space group: I -4 2 m Cell volume: 1142.1 Cell parameters: 9.92; 9.92; 11.606; 90; 90; 90;

COD ID: 1529968
CIF file	Formula: - Ca Li2 O4 Si - Comments: Gard, J.A.; West, A.R. Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4 Journal of Solid State Chemistry 7 (1973) 422-427 Space group: I -4 2 m Cell volume: 165.213 Cell parameters: 5.047; 5.047; 6.486; 90; 90; 90;

COD ID: 1529969
CIF file	Formula: - Ca Ge Li2 O4 - Comments: Gard, J.A.; West, A.R. Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4 Journal of Solid State Chemistry 7 (1973) 422-427 Space group: I -4 2 m Cell volume: 174.305 Cell parameters: 5.141; 5.141; 6.595; 90; 90; 90;

COD ID: 1530856
CIF file	Formula: - Cd0.37 Cu2 Fe0.29 S4 Sn Zn0.33 - Comments: Szymanski, J.T. The crystal structure of cernyite, Cu2 Cd Sn S4, a cadmium analogue of Stannite Canadian Mineralogist 16 (1978) 147-151 Space group: I -4 2 m Cell volume: 326.603 Cell parameters: 5.487; 5.487; 10.848; 90; 90; 90;

COD ID: 1531472
CIF file	Formula: - Cd Cu2 Ge Se4 - Comments: Gulay, L.D.; Romanyuk, Ya.E.; Parasyuk, O.V. Crystal structures of low- and high-temperature modifications of Cu2 Cd Ge Se4 Journal of Alloys Compd. 347 (2002) 193-197 Space group: I -4 2 m Cell volume: 365.221 Cell parameters: 5.7482; 5.7482; 11.0533; 90; 90; 90;

COD ID: 1531983
CIF file	Formula: - Cu2 Se4 Sn Zn - Comments: Olekseyuk, I.D.; Marchuk, O.V.; Dydchak, I.V.; Gulay, L.D.; Piskach, L.V.; Parasyuk, O.V. Single crystal preparation and crystal structure of the (Cu2 Zn)/ (Cd, Hg)/(Sn Se4) compounds Journal of Alloys Compd. 340 (2002) 141-145 Space group: I -4 2 m Cell volume: 366.842 Cell parameters: 5.6882; 5.6882; 11.3378; 90; 90; 90;

COD ID: 1531985
CIF file	Formula: - Cd Cu2 Se4 Sn - Comments: Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V.; Piskach, L.V.; Dydchak, I.V.; Marchuk, O.V. Single crystal preparation and crystal structure of the (Cu2 Zn)/ (Cd, Hg)/(Sn Se4) compounds Journal of Alloys Compd. 340 (2002) 141-145 Space group: I -4 2 m Cell volume: 388.098 Cell parameters: 5.8337; 5.8337; 11.4039; 90; 90; 90;

COD ID: 1531986
CIF file	Formula: - Cu2 Hg Se4 Sn - Comments: Olekseyuk, I.D.; Gulay, L.D.; Parasyuk, O.V.; Dydchak, I.V.; Marchuk, O.V.; Piskach, L.V. Single crystal preparation and crystal structure of the (Cu2 Zn)/ (Cd, Hg)/(Sn Se4) compounds Journal of Alloys Compd. 340 (2002) 141-145 Space group: I -4 2 m Cell volume: 387.922 Cell parameters: 5.8288; 5.8288; 11.4179; 90; 90; 90;

COD ID: 1532032
CIF file	Formula: - Cu2 Ge Hg S4 - Comments: Parasyuk, O.V.; Olekseyuk, I.D.; Gulay, L.D.; Romanyuk, Ya.E. Phase diagram of the quasi-binary (Cu2 Ge S3) - (Hg S) system and crystal structure of the LT-modification of the Cu2 Hg Ge S4 compound Journal of Alloys Compd. 334 (2002) 143-146 Space group: I -4 2 m Cell volume: 317.434 Cell parameters: 5.4873; 5.4873; 10.5423; 90; 90; 90;

COD ID: 1533601
CIF file	Formula: - Co Cu2 S4 Si - Comments: Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D. Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4 Journal of Alloys Compd. 377 (2004) 306-311 Space group: I -4 2 m Cell volume: 285.897 Cell parameters: 5.2644; 5.2644; 10.316; 90; 90; 90;

COD ID: 1533604
CIF file	Formula: - Co Cu2 Ge S4 - Comments: Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D. Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4 Journal of Alloys Compd. 377 (2004) 306-311 Space group: I -4 2 m Cell volume: 293.651 Cell parameters: 5.2957; 5.2957; 10.4709; 90; 90; 90;

COD ID: 1533607
CIF file	Formula: - Co Cu2 S4 Sn - Comments: Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D. Crystal structures of the compounds Cu2 Co Si(Ge,Sn) S4 and Cu2 Co Ge(Sn) Se4 Journal of Alloys Compd. 377 (2004) 306-311 Space group: I -4 2 m Cell volume: 314.095 Cell parameters: 5.3956; 5.3956; 10.789; 90; 90; 90;

COD ID: 1533615
CIF file	Formula: - Co Cu2 Se4 Sn - Comments: Gulay, L.D.; Nazarchuk, O.P.; Olekseyuk, I.D. Crystal structures of the compounds Cu2 Co Si(Ge, Sn) S4 and Cu2 Co Ge(Sn) Se4 Journal of Alloys Compd. 377 (2004) 306-311 Space group: I -4 2 m Cell volume: 363.444 Cell parameters: 5.6676; 5.6676; 11.3146; 90; 90; 90;

COD ID: 1535475

Formula: - Hg K2 Se4 Sn -
Comments: Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S. Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-} Chemistry - A European Journal 10 (2004) 5147-5157
Space group: I -4 2 m
Cell volume: 452.385
Cell parameters: 8.0681; 8.0681; 6.9497; 90; 90; 90;

COD ID: 1535789
CIF file	Formula: - Ni P4 Si3 - Comments: Il'nitskaya, O.N.; Bruskov, V.A.; Zavalii, P.Yu.; Kuz'ma, Yu.B. New compound NiSi3P4 and its structure Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 27 (1991) 1311-1313 Space group: I -4 2 m Cell volume: 275.554 Cell parameters: 5.1598; 5.1598; 10.35; 90; 90; 90;

COD ID: 1536261
CIF file	Formula: - K3 O4 V - Comments: Olazcuaga, R.; Reau, J.M.; le Flem, G.; Hagenmuller, P. Preparation ,proprietes cristallographiques et magnetiques des phases K3 X O4 (X= V, Cr, Mn) Zeitschrift fuer Anorganische und Allgemeine Chemie 412 (1975) 271-280 Space group: I -4 2 m Cell volume: 285.187 Cell parameters: 5.93; 5.93; 8.11; 90; 90; 90;

COD ID: 1537361
CIF file	Formula: - Cu2 Hg I4 - Comments: Hahn, H.; Frank, G.; Klingler, W. Zur Struktur des Cu2 Hg I4-beta und des Ag2 Hg I4-beta Zeitschrift fuer Anorganische und Allgemeine Chemie 279 (1955) 271-280 Space group: I -4 2 m Cell volume: 454.368 Cell parameters: 6.092; 6.092; 12.243; 90; 90; 90;

COD ID: 1538022
CIF file	Formula: - Cu3 S4 Sb - Comments: Gaines, V. Luzonite, famatinite and some related minerals American Mineralogist 42 (1957) 766-779 Space group: I -4 2 m Cell volume: 311.442 Cell parameters: 5.38; 5.38; 10.76; 90; 90; 90;

COD ID: 1539106
CIF file	Formula: - La2 Mo O6 - Comments: Sillen, L.G.; Lundborg, K. La2 Mo O6, ein Lanthanoxymolybdat mit Schichtenstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 252 (1943) 2-8 Space group: I -4 2 m Cell volume: 267.352 Cell parameters: 4.089; 4.089; 15.99; 90; 90; 90;

COD ID: 1539332
CIF file	Formula: - O8 Rb3 Ta - Comments: Wilson, I. X-ray analysis of potassium perchromate K3 Cr O8 and isomorphous compounds Arkiv foer Kemi, Mineralogi och Geologi, B 15 (1942) 1-7 Space group: I -4 2 m Cell volume: 402.238 Cell parameters: 7.06; 7.06; 8.07; 90; 90; 90;

COD ID: 1539732
CIF file	Formula: - K11 Li Mn4 O16 - Comments: Fischer, D.; Hoppe, R. Ein Oxomanganat(V) neuen Typs: K11 (Li (O Mn O3)4) Zeitschrift fuer Anorganische und Allgemeine Chemie 586 (1990) 106-114 Space group: I -4 2 m Cell volume: 1084.95 Cell parameters: 7.8718; 7.8718; 17.509; 90; 90; 90;

COD ID: 1541136
CIF file	Formula: - N O2 Sr Ta - Comments: Pors, F.; Laurent, Y.; Bacher, P.; Marchand, R.; Roult, G. Neutron diffraction study of the SrTaO2N oxynitride perovskite and of the Ba1-xSrxTaO2N solid solution Revue Internationale des Hautes Temperatures et des Refractaires 24 (1988) 239-246 Space group: I -4 2 m Cell volume: 262.114 Cell parameters: 5.6919; 5.6919; 8.0905; 90; 90; 90;

COD ID: 1542057
CIF file	Formula: - Cl Cs F3 Sb - Comments: Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.; Zemnukhova, L.A. Crystal Structure of Cesium Chlorotrifluoroantimonate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 3 (1977) 259-261 Space group: I -4 2 m Cell volume: 1147.11 Cell parameters: 9.94; 9.94; 11.61; 90; 90; 90;

COD ID: 1545181
CIF file	Formula: - C2.5 H2.5 Np0.12 - Comments: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci. 8(4) (2017) 2553 Space group: I -4 2 m Cell volume: 780.22 Cell parameters: 8.598; 8.598; 10.5541; 90; 90; 90;

COD ID: 1546584

Formula: - C29 H26 Au Cl N2 O2 -
Comments: McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes Chem. Sci. (2017)
Space group: I -4 2 m
Cell volume: 5412.4
Cell parameters: 19.1131; 19.1131; 14.8158; 90; 90; 90;

COD ID: 1550125
CIF file	Formula: - Cu2 S4 Sn Zn - Comments: Munoz, M; Vera, E; Pineda, T; Guaspud, J Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies Journal of Physics: Conference Series 786 (2017) 1-7 Space group: I -4 2 m Cell volume: 320.24 Cell parameters: 5.434; 5.434; 10.845; 90; 90; 90;

COD ID: 1550164
CIF file	Formula: - B4.09 Ba4 Bi2 O29 Si7.91 - Comments: Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material Chemical Science (2019) Space group: I -4 2 m Cell volume: 1263.74 Cell parameters: 11.0254; 11.0254; 10.3961; 90; 90; 90;

COD ID: 1550651
CIF file	Formula: - Ge Li2 S4 Sr - Comments: Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science (2019) Space group: I -4 2 m Cell volume: 331.73 Cell parameters: 6.542; 6.542; 7.751; 90; 90; 90;

COD ID: 1550653
CIF file	Formula: - Li2 S4 Sn Sr - Comments: Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science (2019) Space group: I -4 2 m Cell volume: 351.1 Cell parameters: 6.659; 6.659; 7.918; 90; 90; 90;

COD ID: 1551423

Formula: - C80 H104 Ag12 F12 N8 O16.8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6103.54
Cell parameters: 17.2768; 17.2768; 20.4482; 90; 90; 90;

COD ID: 1551424

Formula: - C88 H128 Ag12 F12 N8 O12 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 5919.1
Cell parameters: 17.2793; 17.2793; 19.8246; 90; 90; 90;

COD ID: 1551425

Formula: - C84 H108 Ag12 Cl12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6033.7
Cell parameters: 17.1887; 17.1887; 20.4219; 90; 90; 90;

COD ID: 1551426

Formula: - C82.4 H107.6 Ag12 F12 N9.2 O6 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6071.78
Cell parameters: 17.3814; 17.3814; 20.0977; 90; 90; 90;

COD ID: 1551427

Formula: - C83 H110 Ag12 F12 N8 O9 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 5977
Cell parameters: 17.27; 17.27; 20.04; 90; 90; 90;

COD ID: 1551428

Formula: - C98 H140 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6278.7
Cell parameters: 17.2498; 17.2498; 21.101; 90; 90; 90;

COD ID: 1551430

Formula: - C80 H104 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6064.8
Cell parameters: 17.34149; 17.34149; 20.1671; 90; 90; 90;

COD ID: 1551431

Formula: - C80 H104 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 5946.07
Cell parameters: 17.29649; 17.29649; 19.8753; 90; 90; 90;

COD ID: 1551432

Formula: - C80 H104 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6082.3
Cell parameters: 17.33048; 17.33048; 20.251; 90; 90; 90;

COD ID: 1551433

Formula: - C96 H136 Ag12 F12 N8 O16 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6152.47
Cell parameters: 17.1785; 17.1785; 20.8487; 90; 90; 90;

COD ID: 1551434

Formula: - C104 H128 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6145.79
Cell parameters: 17.298; 17.298; 20.5393; 90; 90; 90;

COD ID: 1551435

Formula: - C94 H120 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6122.21
Cell parameters: 17.26652; 17.26652; 20.5352; 90; 90; 90;

COD ID: 1551436

Formula: - C104 H124 Ag12 F16 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6133
Cell parameters: 17.3073; 17.3073; 20.4745; 90; 90; 90;

COD ID: 1551437

Formula: - C92 H114 Ag12 Cl2 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6118.51
Cell parameters: 17.23734; 17.23734; 20.5923; 90; 90; 90;

COD ID: 1551438

Formula: - C92 H114 Ag12 Br2 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6098.8
Cell parameters: 17.2292; 17.2292; 20.5453; 90; 90; 90;

COD ID: 1551439

Formula: - C92 H114 Ag12 F12 I2 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6130.8
Cell parameters: 17.2105; 17.2105; 20.6982; 90; 90; 90;

COD ID: 1551440

Formula: - C96 H124 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6205.8
Cell parameters: 17.2348; 17.2348; 20.8923; 90; 90; 90;

COD ID: 1551441

Formula: - C96 H124 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6155.5
Cell parameters: 17.2529; 17.2529; 20.6795; 90; 90; 90;

COD ID: 1551442

Formula: - C96 H124 Ag12 F12 N8 O8 S8 -
Comments: Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry 9 (2017) 689-697
Space group: I -4 2 m
Cell volume: 6132.61
Cell parameters: 17.2603; 17.2603; 20.5849; 90; 90; 90;

COD ID: 1552093
CIF file	Formula: - C192 O96.16 Ti16 Zr4 - Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019) Space group: I -4 2 m Cell volume: 8113 Cell parameters: 16.5; 16.5; 29.8; 90; 90; 90;

COD ID: 1558193
CIF file	Formula: - Cu Ga S4 Zn2 - Comments: Bindi, Luca; Jaszczak, John A. Richardsite, Zn2CuGaS4, A New Gallium-Essential Member of the Stannite Group from the Gem Mines near Merelani, Tanzania Minerals 10(5) (2020) 467 Space group: I -4 2 m Cell volume: 304.46 Cell parameters: 5.3626; 5.3626; 10.5873; 90; 90; 90;

COD ID: 1563486

Formula: - Cu0.743 Ga0.543 In0.543 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 m
Cell volume: 364.21
Cell parameters: 5.6796; 5.6796; 11.2905; 90; 90; 90;

COD ID: 1563487

Formula: - Cu0.6 Ga0.567 In0.567 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 m
Cell volume: 361.89
Cell parameters: 5.666; 5.666; 11.2725; 90; 90; 90;

COD ID: 1563488

Formula: - Cu0.5 Ga0.583 In0.583 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 m
Cell volume: 358.3
Cell parameters: 5.645; 5.645; 11.2438; 90; 90; 90;

COD ID: 1563489

Formula: - Cu0.4 Ga0.6 In0.6 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 m
Cell volume: 356.752
Cell parameters: 5.63351; 5.63351; 11.2411; 90; 90; 90;

COD ID: 1563490

Formula: - Cu0.25 Ga0.625 In0.625 Se2 -
Comments: Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M. Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds Journal of Solid State Chemistry 183(10) (2010) 2274-2280
Space group: I -4 2 m
Cell volume: 353.8
Cell parameters: 5.6166; 5.6166; 11.214; 90; 90; 90;

COD ID: 2002734
CIF file	Formula: - Ba4 Cu Li O10 - Comments: Tams, G; Mueller-Buschbaum, Hk Synthese und Roentgenstrukturanalyse von Ba4 Li Cu O4 (C O3)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 56-60 Space group: I -4 2 m Cell volume: 507.5 Cell parameters: 5.7666; 5.7666; 15.2614; 90; 90; 90;

COD ID: 2006362
CIF file Original IUCr paper	Formula: - Ag2 As K S4 - Comments: Schimek, George L.; Kolis, Joseph W. KAg~2~AsS~4~ Acta Crystallographica Section C 53(8) (1997) 991-992 Space group: I -4 2 m Cell volume: 376.62 Cell parameters: 6.7504; 6.7504; 8.265; 90; 90; 90;

COD ID: 2007732

Formula: - C20 H44 Cl2 Cu N4 O16 -
Comments: Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-O)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate Acta Crystallographica Section C 54(10) (1998) 1389-1393
Space group: I -4 2 m
Cell volume: 1604.1
Cell parameters: 11.711; 11.711; 11.696; 90; 90; 90;

COD ID: 2008161

Formula: - C28 H68 Fe4 N2 S8 -
Comments: Ralf Hauptmann; Jörg Schneider; Martin Köckerling; Gerald Henkel Bis(tetramethylammonium) tetra-μ~3~-sulfido-tetrakis[(2,2-dimethylpropanethiolato-S)iron]: a heterocubane complex anion with crystallographically imposed øverline{4}2m symmetry Acta Crystallographica Section C 55(2) (1999) 190-192
Space group: I -4 2 m
Cell volume: 2528.3
Cell parameters: 11.495; 11.495; 19.134; 90; 90; 90;

COD ID: 2010260
CIF file Original IUCr paper	Formula: - B2 Ba0.265 Cu2 O6 Sr0.735 - Comments: Norrestam, R.; Carlson, S.; Sjödin, A. Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ Acta Crystallographica Section C 50(12) (1994) 1847-1849 Space group: I -4 2 m Cell volume: 550.3 Cell parameters: 9.01; 9.01; 6.779; 90; 90; 90;

COD ID: 2010261
CIF file Original IUCr paper	Formula: - B2 Ca0.339 Cu2 O6 Sr0.661 - Comments: Norrestam, R.; Carlson, S.; Sjödin, A. Sr~0.735~Ba~0.265~Cu~2~(BO~3~)~2~ and Sr~0.661~Ca~0.339~Cu~2~(BO~3~)~2~ Acta Crystallographica Section C 50(12) (1994) 1847-1849 Space group: I -4 2 m Cell volume: 526.12 Cell parameters: 8.9692; 8.9692; 6.54; 90; 90; 90;

COD ID: 2016454

Formula: - C10 H8 Cd2 K N15 O4 -
Comments: Schlueter, John A.; Geiser, Urs; Funk, Kylee A. KCd~2~[N(CN)~2~]~5~(H~2~O)~4~: an enmeshed honeycomb grid Acta Crystallographica Section C 64(2) (2008) i9-i11
Space group: I -4 2 m
Cell volume: 2131.76
Cell parameters: 11.854; 11.854; 15.1708; 90; 90; 90;

COD ID: 2016859

Formula: - Ag0.35 As1.7 Cu0.65 Hg1.7 S6 Sb0.3 Tl Zn0.3 -
Comments: Bindi, Luca Routhierite, Tl(Cu,Ag)(Hg,Zn)~2~(As,Sb)~2~S~6~ Acta Crystallographica Section C 64(12) (2008) i95-i96
Space group: I -4 2 m
Cell volume: 1127.2
Cell parameters: 9.9821; 9.9821; 11.3122; 90; 90; 90;

COD ID: 2020030
CIF file	Formula: - Ir Zr3 - Comments: Cenzual, K.; Parthe, E. Zr3 Ir with tetragonal alpha-V3 S structure Acta Crystallographica C (39,1983-) 41 (1985) 820-823 Space group: I -4 2 m Cell volume: 658.949 Cell parameters: 10.788; 10.788; 5.662; 90; 90; 90;

COD ID: 2022291

Formula: - Li2 Pb S4 Si -
Comments: Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A. Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure Acta Crystallographica Section C 77(1) (2021) 1-10
Space group: I -4 2 m
Cell volume: 322.903
Cell parameters: 6.4618; 6.4618; 7.7333; 90; 90; 90;

COD ID: 2100394

Formula: - C48 H108 O20 P4 Re4 U -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: I -4 2 m
Cell volume: 3578.9
Cell parameters: 15.5404; 15.5404; 14.8191; 90; 90; 90;

COD ID: 2100398

Formula: - C48 H108 O20 P4 Re4 Th -
Comments: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [M(M'O~4~)~4~(TBPO)~4~] complexes (MM' = URe, ThRe, ThTc) Acta Crystallographica Section B 62(1) (2006) 68-85
Space group: I -4 2 m
Cell volume: 3599.9
Cell parameters: 15.5577; 15.5577; 14.873; 90; 90; 90;

COD ID: 2102029

Formula: - C24 H24 B N -
Comments: Steiner, Thomas; Mason, Sax A. Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction Acta Crystallographica Section B 56(2) (2000) 254-260
Space group: I -4 2 m
Cell volume: 989.79
Cell parameters: 11.1208; 11.1208; 8.0033; 90; 90; 90;

COD ID: 2102030

Formula: - C24 H24 B N -
Comments: Steiner, Thomas; Mason, Sax A. Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction Acta Crystallographica Section B 56(2) (2000) 254-260
Space group: I -4 2 m
Cell volume: 1017.5
Cell parameters: 11.2255; 11.2255; 8.0745; 90; 90; 90;

COD ID: 2105813

Formula: - Cu2 S4 Sn Zn -
Comments: Lafond, Alain; Choubrac, Léo; Guillot-Deudon, Catherine; Fertey, Pierre; Evain, Michel; Jobic, Stéphane X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu~2~ZnSnS~4~ compound Acta Crystallographica Section B 70(2) (2014) 390-394
Space group: I -4 2 m
Cell volume: 320.43
Cell parameters: 5.4353; 5.4353; 10.8464; 90; 90; 90;

COD ID: 2200833

Formula: - C20 H44 Cu F12 N4 O8 P2 -
Comments: Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng Tetrakis(trimethylammonioacetato-O)copper(II) bis(hexafluorophosphate) Acta Crystallographica Section E 58(2) (2002) m61-m62
Space group: I -4 2 m
Cell volume: 1646.1
Cell parameters: 11.831; 11.831; 11.76; 90; 90; 90;

COD ID: 2234088

Formula: - C24 H20 N4 -
Comments: Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal 6H,13H-5,12:7,14-Dimethanodinaphtho[2,3-d:2,3-i][1,3,6,8]tetraazecine Acta Crystallographica Section E 68(4) (2012) o1061
Space group: I -4 2 m
Cell volume: 904.56
Cell parameters: 7.1996; 7.1996; 17.4511; 90; 90; 90;

COD ID: 2239003

Formula: - C32 H66 N4 O17 Sn -
Comments: Gueye, Ndongo; Diop, Libasse; Stoeckli-Evans, Helen Tetrakis(dipropylammonium) tetrakis(oxalato-κ^2^O^1^,O^2^)stannate(IV) monohydrate: a complex with an eight-coordinate Sn^IV^ atom Acta Crystallographica Section E 70(2) (2014) m49-m50
Space group: I -4 2 m
Cell volume: 2040.21
Cell parameters: 14.5996; 14.5996; 9.5718; 90; 90; 90;

COD ID: 2239460
CIF file HKL data	Formula: - C8 H16 N4 - Comments: Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane Acta Crystallographica Section E 70(3) (2014) o266 Space group: I -4 2 m Cell volume: 418.2 Cell parameters: 7.4065; 7.4065; 7.6235; 90; 90; 90;

COD ID: 2310928
CIF file	Formula: - S V3 - Comments: Pedersen, B.; Gronvold, F. The Crystal Structures of alpha-V3 S and beta-V3 S Acta Crystallographica (1,1948-23,1967) 12 (1959) 1022-1027 Space group: I -4 2 m Cell volume: 411.546 Cell parameters: 9.47; 9.47; 4.589; 90; 90; 90;

COD ID: 2312276

Formula: - Cu2 Hg S4 Sn -
Comments: Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A. Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu2CdSiS4 and Cu2HgSnS4 as a case study. Acta crystallographica. Section C, Structural chemistry 79(9) (2023)
Space group: I -4 2 m
Cell volume: 338.12
Cell parameters: 5.5798; 5.5798; 10.86; 90; 90; 90;

COD ID: 4000111
CIF file	Formula: - Eu Ge Li2 S4 - Comments: Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G. Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression Chemistry of Materials 13(12) (2001) 4714-4721 Space group: I -4 2 m Cell volume: 329.64 Cell parameters: 6.5447; 6.5447; 7.696; 90; 90; 90;

COD ID: 4000498
CIF file	Formula: - C4.5 H15 F2 Ge6.44 N1.5 O17 Si0.56 - Comments: Tang, Liqiu; Dadachov, Mike S.; Zou, Xiaodong SU-12: A Silicon-Substituted ASU-16 with Circular 24-Rings and Templated by a Monoamine Chemistry of Materials 17(10) (2005) 2530-2536 Space group: I -4 2 m Cell volume: 13060.8 Cell parameters: 27.646; 27.646; 17.0885; 90; 90; 90;

COD ID: 4000516
CIF file	Formula: - Ag4.06 Sn2 Te8 Tl4 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 538.9 Cell parameters: 8.539; 8.539; 7.391; 90; 90; 90;

COD ID: 4000523
CIF file	Formula: - Cu2 Sn Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 500.1 Cell parameters: 8.382; 8.382; 7.118; 90; 90; 90;

COD ID: 4000657
CIF file	Formula: - Cd Ge Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 497.3 Cell parameters: 8.3825; 8.3825; 7.0775; 90; 90; 90;

COD ID: 4000658
CIF file	Formula: - Cd Sn Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 512.27 Cell parameters: 8.425; 8.425; 7.2171; 90; 90; 90;

COD ID: 4000659
CIF file	Formula: - Ge Hg Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 493.67 Cell parameters: 8.3571; 8.3571; 7.0684; 90; 90; 90;

COD ID: 4000660
CIF file	Formula: - Hg Sn Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 504.6 Cell parameters: 8.397; 8.397; 7.157; 90; 90; 90;

COD ID: 4000661
CIF file	Formula: - Ge Mn Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 491.2 Cell parameters: 8.399; 8.399; 6.963; 90; 90; 90;

COD ID: 4000662
CIF file	Formula: - Mn Sn Te4 Tl2 - Comments: Chemistry of Materials (2005) Space group: I -4 2 m Cell volume: 507.55 Cell parameters: 8.4503; 8.4503; 7.1078; 90; 90; 90;

COD ID: 4001266

Formula: - C60 H68 Cu4 I4 P4 -
Comments: Tard, Cédric; Perruchas, Sandrine; Maron, Sébastien; Le Goff, Xavier F.; Guillen, François; Garcia, Alain; Vigneron, Jacky; Etcheberry, Arnaud; Gacoin, Thierry; Boilot, Jean-Pierre Thermochromic Luminescence of Sol−Gel Films Based on Copper Iodide Clusters Chemistry of Materials 20(22) (2008) 7010
Space group: I -4 2 m
Cell volume: 3054.7
Cell parameters: 15.951; 15.951; 12.006; 90; 90; 90;

COD ID: 4001678

Formula: - Ag3 O4 V -
Comments: Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D. Structural, Optical, and Transport Properties of α- and β-Ag3VO4 Chemistry of Materials 24(17) (2012) 3346
Space group: I -4 2 m
Cell volume: 241.19
Cell parameters: 4.9795; 4.9795; 9.7271; 90; 90; 90;

COD ID: 4002064

Formula: - Cu5.6 Se8 Sn2.4 -
Comments: Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms Chemistry of Materials 26(18) (2014) 5244
Space group: I -4 2 m
Cell volume: 378.413
Cell parameters: 5.74738; 5.74738; 11.45583; 90; 90; 90;

COD ID: 4002652
CIF file	Formula: - Ge Li2 Pb S4 - Comments: Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G. Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression Chemistry of Materials 13(12) (2001) 4714-4721 Space group: I -4 2 m Cell volume: 330.14 Cell parameters: 6.5224; 6.5224; 7.7603; 90; 90; 90;

COD ID: 4003499

Formula: - Cu P S4 Zn -
Comments: Li, Zhuang; Zhang, Shengzi; Huang, Zhiwei; Zhao, Li-Dong; Uykur, Ece; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement Chemistry of Materials (2020)
Space group: I -4 2 m
Cell volume: 278.43
Cell parameters: 5.498; 5.498; 9.211; 90; 90; 90;

COD ID: 4067938
CIF file	Formula: - C24 H20 B Na - Comments: Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs) Organometallics 31(3) (2012) 905 Space group: I -4 2 m Cell volume: 980.1 Cell parameters: 11.477; 11.477; 7.4405; 90; 90; 90;

COD ID: 4067940

Formula: - C24 H20 B Rb -
Comments: Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs) Organometallics 31(3) (2012) 905
Space group: I -4 2 m
Cell volume: 1002.22
Cell parameters: 11.1556; 11.1556; 8.0534; 90; 90; 90;

COD ID: 4067941

Formula: - C24 H20 B Cs -
Comments: Behrens, Ulrich; Hoffmann, Frank; Olbrich, Falk Solid-State Structures of Base-Free Lithium and Sodium Tetraphenylborates at Room and Low Temperature: Comparison with the Higher Homologues MB(C6H5)4(M = K, Rb, Cs) Organometallics 31(3) (2012) 905
Space group: I -4 2 m
Cell volume: 1072.85
Cell parameters: 11.2847; 11.2847; 8.4248; 90; 90; 90;

COD ID: 4103605

Formula: - C74 H46 In9 N O58 -
Comments: Shou-Tian Zheng; Julia T. Bu; Yufei Li; Tao Wu; Fan Zuo; Pingyun Feng; Xianhui Bu Pore Space Partition and Charge Separation in Cage-within-Cage Indium-Organic Frameworks with High CO2 Uptake Journal of the American Chemical Society 132 (2010) 17062-17064
Space group: I -4 2 m
Cell volume: 17086
Cell parameters: 25.182; 25.182; 26.944; 90; 90; 90;

COD ID: 4104828
CIF file	Formula: - C36 H84 B Co4 F4 P4 S4 - Comments: Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States Journal of the American Chemical Society 131 (2009) 11213-11221 Space group: I -4 2 m Cell volume: 2565.8 Cell parameters: 12.4418; 12.4418; 16.575; 90; 90; 90;

COD ID: 4105790
CIF file	Formula: - Cr H12 N3 O8 - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795 Space group: I -4 2 m Cell volume: 392.82 Cell parameters: 6.9951; 6.9951; 8.028; 90; 90; 90;

COD ID: 4105793
CIF file	Formula: - Cr H8 N2 O8 Rb - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795 Space group: I -4 2 m Cell volume: 385.79 Cell parameters: 6.9862; 6.9862; 7.9044; 90; 90; 90;

COD ID: 4105794
CIF file	Formula: - Cr Cs H8 N2 O8 - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795 Space group: I -4 2 m Cell volume: 405 Cell parameters: 7.0386; 7.0386; 8.1748; 90; 90; 90;

COD ID: 4111320

Formula: - C31 H30 Ag Cl N2 O2.5 -
Comments: Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry Journal of the American Chemical Society 128 (2006) 16514-16515
Space group: I -4 2 m
Cell volume: 5543.3
Cell parameters: 19.196; 19.196; 15.0434; 90; 90; 90;

COD ID: 4111718
CIF file	Formula: - C11 H8 Cu3 N3 S2 - Comments: Xian-Ming Zhang; Rui-Qin Fang; Hai-Shun Wu A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer Journal of the American Chemical Society 127 (2005) 7670-7671 Space group: I -4 2 m Cell volume: 1614.09 Cell parameters: 10.2175; 10.217; 15.4618; 90; 90; 90;

COD ID: 4114836
CIF file	Formula: - C44 H60 Ir4 N8 - Comments: Yoshiaki Tanabe; Shigeki Kuwata; Youichi Ishii Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged Tetrairidium(III) Cages Journal of the American Chemical Society 124 (2002) 6528-6529 Space group: I -4 2 m Cell volume: 2183.7 Cell parameters: 11.967; 11.9674; 15.248; 90; 90; 90;

COD ID: 4116238
CIF file	Formula: - C12 H20 Ga4 N2 O21 P4 - Comments: David S. Wragg; Russell E. Morris Anionic Gallium Phosphate Double Four-Ring Units Containing Occluded Oxygen Journal of the American Chemical Society 122 (2000) 11246-11247 Space group: I -4 2 m Cell volume: 1246.2 Cell parameters: 13.016; 13.016; 7.356; 90; 90; 90;

COD ID: 4117344

Formula: - K50.93 N16 Na0 O364 U68.49 -
Comments: Jie Qiu; Jie Ling; Audrey Sui; Jennifer E. S. Szymanowski; Antonio Simonetti; Peter C. Burns Time-Resolved Self-Assembly of a Fullerene-Topology Core-Shell Cluster Containing 68 Uranyl Polyhedra Journal of the American Chemical Society 134 (2012) 1810-1816
Space group: I -4 2 m
Cell volume: 35825
Cell parameters: 36.258; 36.258; 27.251; 90; 90; 90;

COD ID: 4118667
CIF file	Formula: - Cr H12 N3 O8 - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution Journal of the American Chemical Society 134 (2012) 15953-15962 Space group: I -4 2 m Cell volume: 392.82 Cell parameters: 6.9951; 6.9951; 8.028; 90; 90; 90;

COD ID: 4118670
CIF file	Formula: - Cr H8 N2 O8 Rb - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution Journal of the American Chemical Society 134 (2012) 15953-15962 Space group: I -4 2 m Cell volume: 385.79 Cell parameters: 6.9862; 6.9862; 7.9044; 90; 90; 90;

COD ID: 4118671
CIF file	Formula: - Cr Cs H8 N2 O8 - Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution Journal of the American Chemical Society 134 (2012) 15953-15962 Space group: I -4 2 m Cell volume: 405 Cell parameters: 7.0386; 7.0386; 8.1748; 90; 90; 90;

COD ID: 4118676

Formula: - C34 H48 N4 Ti2 -
Comments: Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation Journal of the American Chemical Society 134 (2012) 15979-15991
Space group: I -4 2 m
Cell volume: 1632.12
Cell parameters: 8.9445; 8.9445; 20.4004; 90; 90; 90;

COD ID: 4121149

Formula: - C6 H6.28 N O3.14 W -
Comments: Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules Journal of the American Chemical Society 135 (2013) 17401-17407
Space group: I -4 2 m
Cell volume: 745.13
Cell parameters: 5.2546; 5.2546; 26.987; 90; 90; 90;

COD ID: 4121800

Formula: - C52 H28 Cu4 N12 O9 -
Comments: Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B. Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis. Journal of the American Chemical Society 136(20) (2014) 7269-7272
Space group: I -4 2 m
Cell volume: 3359.6
Cell parameters: 14.5216; 14.5216; 15.9314; 90; 90; 90;

COD ID: 4134996

Formula: - C6 F2 I4 N Pb -
Comments: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite. Journal of the American Chemical Society 142(22) (2020) 10212-10218
Space group: I -4 2 m
Cell volume: 1201.3
Cell parameters: 6.6369; 6.6369; 27.272; 90; 90; 90;

COD ID: 4300056

Formula: - C18 H44 Ag3 Co2 F18 N8 O P3 S6 -
Comments: Keiji Tokuda; Ken-ichi Okamoto; Takumi Konno Synthesis, Characterization, and Chiral Properties of CoIII2AgI3 Pentanuclear, CoIII4ZnII4 Octanuclear, and CoIII Mononuclear Complexes with Aza-Capped Hexadentate-N3S3 Thiolate Ligands: Crystal Structures of [Ag3{Co(L)}2][PF6]3 and [Zn4O{Co(L)}4][PF6]6 (L = N(CH2NHCH2CH2S-)3) Inorganic Chemistry 39 (2000) 333-339
Space group: I -4 2 m
Cell volume: 4183
Cell parameters: 13.012; 13.0115; 24.707; 90; 90; 90;

COD ID: 4305369
CIF file	Formula: - C24 H124 B44 Cl2 Hg N8 Sn4 - Comments: Marius Kirchmann; Klaus Eichele; Lars Wesemann Homoleptic Cadmium and Mercury Compounds of Stanna-closo-dodecaborate Inorganic Chemistry 47 (2008) 5988-5991 Space group: I -4 2 m Cell volume: 4539.6 Cell parameters: 14.9235; 14.9235; 20.3832; 90; 90; 90;

COD ID: 4305740

Formula: - C11 H8 Cu3 N3 S2 -
Comments: Zheng-Ming Hao; Rui-Qin Fang; Hai-Shun Wu; Xian-Ming Zhang Cu6S4 Cluster Based Twelve-Connected Face-Centered Cubic and Cu19I4S12 Cluster Based Fourteen-Connected Body-Centered Cubic Topological Coordination Polymers Inorganic Chemistry 47 (2008) 8197-8203
Space group: I -4 2 m
Cell volume: 1614.09
Cell parameters: 10.2175; 10.217; 15.4618; 90; 90; 90;

COD ID: 4309271
CIF file	Formula: - C10 H60 Cl4 O34 V4 - Comments: Fiona H. Fry; Brenda A. Dougan; Nichola McCann; Christopher J. Ziegler; Nicola E. Brasch Characterization of Novel Vanadium(III)/Acetate Clusters Formed in Aqueous Solution Inorganic Chemistry 44 (2005) 5197-5199 Space group: I -4 2 m Cell volume: 2374.2 Cell parameters: 13.633; 13.633; 12.7744; 90; 90; 90;

COD ID: 4314768
CIF file	Formula: - Au12 K23 Sn9 - Comments: Bin Li; Sung-Jin Kim; Gordon J. Miller; John D. Corbett K23Au12Sn9-An Intermetallic Compound Containing a Large Gold-Tin Cluster: Synthesis, Structure, and Bonding Inorganic Chemistry 49 (2010) 1503-1509 Space group: I -4 2 m Cell volume: 2959.5 Cell parameters: 20.834; 20.834; 6.8183; 90; 90; 90;

COD ID: 4315655

Formula: - B H4 Rb -
Comments: Yaroslav Filinchuk; Alexandr V. Talyzin; Hans Hagemann; Vladimir Dmitriev; Dmitry Chernyshov; Bertil Sundqvist Cation Size and Anion Anisotropy in Structural Chemistry of Metal Borohydrides. The Peculiar Pressure Evolution of RbBH4 Inorganic Chemistry 49 (2010) 5285-5292
Space group: I -4 2 m
Cell volume: 195.85
Cell parameters: 5.0057; 5.0057; 7.8161; 90; 90; 90;

COD ID: 4320923

Formula: - Cr K3 O8 -
Comments: Richard M. Wood; Khalil A. Abboud; Ruth C. Palenik; Gus J. Palenik Bond Valence Sums in Coordination Chemistry. Calculation of the Oxidation State of Chromium in Complexes Containing Only Cr-O Bonds and a Redetermination of the Crystal Structure of Potassium Tetra(peroxo)chromate(V) Inorganic Chemistry 39 (2000) 2065-2068
Space group: I -4 2 m
Cell volume: 339.37
Cell parameters: 6.694; 6.694; 7.5736; 90; 90; 90;

COD ID: 4324515

Formula: - C8 H44.72 Al1.64 F1.64 Fe6.36 N8 O34.36 P8 -
Comments: Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions Inorganic Chemistry 50 (2011) 1820-1825
Space group: I -4 2 m
Cell volume: 1015.03
Cell parameters: 10.266; 10.266; 9.6311; 90; 90; 90;

COD ID: 4324516

Formula: - C8 H45.34 Al1.33 F1.33 Fe6.67 N8 O34.67 P8 -
Comments: Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions Inorganic Chemistry 50 (2011) 1820-1825
Space group: I -4 2 m
Cell volume: 1022.43
Cell parameters: 10.2941; 10.2941; 9.6484; 90; 90; 90;

COD ID: 4324517
CIF file	Formula: - C8 H46.4 Al0.8 F0.8 Fe7.2 N8 O35.2 P8 - Comments: Yanyan Wang; Yi Li; Lei Wang; Jingzhe Zhang; Yan Yan; Jiyang Li; Jihong Yu; Jincheng Wang; Ruren Xu ACO-Zeotype Iron Aluminum Phosphates with Variable Al/Fe Ratios Controlled by F-Ions Inorganic Chemistry 50 (2011) 1820-1825 Space group: I -4 2 m Cell volume: 1020 Cell parameters: 10.292; 10.292; 9.629; 90; 90; 90;

COD ID: 4328717

Formula: - Hg Rb2 Sn Te4 -
Comments: Günther Thiele; Sabrina Peter; Martin Schwarzer; Eugen Ruzin; Rodolphe Clérac; Halgard Staesche; Carola Rößer; Bernhard Roling; Stefanie Dehnen Heterobimetallic Chalcogenidometallate Strands: Synthesis, Structure, Magnetism, and Conductivity Inorganic Chemistry 51 (2012) 3349-3351
Space group: I -4 2 m
Cell volume: 565
Cell parameters: 8.766; 8.766; 7.353; 90; 90; 90;

COD ID: 4331188
CIF file	Formula: - C2 F5 La N4 Sr3 - Comments: Leonid Unverfehrt; Markus Ströbele; H.-Jürgen Meyer LaSr3F5(CN2)2: A Prototype Structure for Mixed-Valent Eu4F5(CN2)2 Inorganic Chemistry 51 (2012) 12925-12928 Space group: I -4 2 m Cell volume: 430.2 Cell parameters: 8.086; 8.086; 6.58; 90; 90; 90;

COD ID: 4331525
CIF file	Formula: - C192 H96 Mo24 O96 - Comments: Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai Synthesis and Structure of Cuboctahedral and Anticuboctahedral Cages Containing 12 Quadruply Bonded Dimolybdenum Units Inorganic Chemistry 44(12) (2005) 4154-4156 Space group: I -4 2 m Cell volume: 94976 Cell parameters: 46.622; 46.622; 43.695; 90; 90; 90;

COD ID: 4333085
CIF file	Formula: - Ba39 Li80 N9 - Comments: Smetana, Volodymyr; Babizhetskyy, Volodymyr; Vajenine, Grigori V.; Simon, Arndt Li80Ba39N9: The First Li/Ba Subnitride Inorganic Chemistry 45(26) (2006) 10786-10789 Space group: I -4 2 m Cell volume: 8330 Cell parameters: 16.0673; 16.0673; 32.267; 90; 90; 90;

COD ID: 4333140
CIF file	Formula: - C40 H60 Ce2 O - Comments: Evans, William J.; Rego, Daniel B.; Ziller, Joseph W. Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen Inorganic Chemistry 45(26) (2006) 10790-10798 Space group: I -4 2 m Cell volume: 1873.7 Cell parameters: 11.4716; 11.4716; 14.2381; 90; 90; 90;

COD ID: 4333614
CIF file	Formula: - Mo3 P - Comments: Anton O. Oliynyk; Yaroslava F. Lomnytska; Mariya V. Dzevenko; Stanislav S. Stoyko; Arthur Mar Phase Equilibria in the Mo-Fe-P System at 800 ° C and Structure of Ternary Phosphide (Mo1-xFex)3P (0.10 <=x<= 0.15) Inorganic Chemistry 52 (2013) 983-991 Space group: I -4 2 m Cell volume: 462.65 Cell parameters: 9.7925; 9.7925; 4.8246; 90; 90; 90;

COD ID: 4336483
CIF file	Formula: - As22 Ba13 Si6 Sn8 - Comments: Xiao-Cun Liu; Na Lin; Jian Wang; Ming-Yan Pan; Xian Zhao; Xu-Tang Tao; Sheng-Qing Xia Ba13Si6Sn8As22: A Quaternary Zintl Phase Containing Adamantane-Like [Si4As10] Clusters Inorganic Chemistry 52 (2013) 11836-11842 Space group: I -4 2 m Cell volume: 2843.4 Cell parameters: 14.4857; 14.4857; 13.5506; 90; 90; 90;

COD ID: 4337040
CIF file HKL data	Formula: - Cu2 Fe0.8 Se4 Sn Zn0.2 - Comments: Yongkwan Dong; Hsin Wang; George S. Nolas Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4 Inorganic Chemistry 52 (2013) 14364-14367 Space group: I -4 2 m Cell volume: 367.22 Cell parameters: 5.6928; 5.6928; 11.3311; 90; 90; 90;

COD ID: 4337041
CIF file HKL data	Formula: - Cu2 Fe0.6 Se4 Sn Zn0.4 - Comments: Yongkwan Dong; Hsin Wang; George S. Nolas Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4 Inorganic Chemistry 52 (2013) 14364-14367 Space group: I -4 2 m Cell volume: 367.2 Cell parameters: 5.6817; 5.6817; 11.375; 90; 90; 90;

COD ID: 4337042
CIF file HKL data	Formula: - Cu2 Fe0.4 Se4 Sn Zn0.6 - Comments: Yongkwan Dong; Hsin Wang; George S. Nolas Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4 Inorganic Chemistry 52 (2013) 14364-14367 Space group: I -4 2 m Cell volume: 368.9 Cell parameters: 5.6937; 5.6937; 11.379; 90; 90; 90;

COD ID: 4337043
CIF file HKL data	Formula: - Cu2 Fe0.2 Se4 Sn Zn0.8 - Comments: Yongkwan Dong; Hsin Wang; George S. Nolas Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4 Inorganic Chemistry 52 (2013) 14364-14367 Space group: I -4 2 m Cell volume: 369.31 Cell parameters: 5.695; 5.695; 11.387; 90; 90; 90;

COD ID: 4337069
CIF file	Formula: - C64 H56 Cd Cl18 Cu2 N12 - Comments: Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks Inorganic Chemistry 52 (2013) 14439-14448 Space group: I -4 2 m Cell volume: 3714.25 Cell parameters: 20.2165; 20.2165; 9.0878; 90; 90; 90;

COD ID: 4344273
CIF file	Formula: - H30 N16 O16 Pd3 - Comments: de Boer, F.P.; Carter, V.B.; Turley, J.W. Single-Crystal X-Ray and Raman Studies of Bis(nitrotriamminepalladium(II)) Tetraamminepalladium(II) Tetranitrate Inorganic Chemistry 10 (1971) 651-661 Space group: I -4 2 m Cell volume: 1260.38 Cell parameters: 7.637; 7.637; 21.61; 90; 90; 90;

COD ID: 4346980
CIF file	Formula: - C8 H4 Dy5 O22 - Comments: Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation. Inorganic chemistry 55(5) (2016) 2085-2090 Space group: I -4 2 m Cell volume: 2337 Cell parameters: 10.7012; 10.7012; 20.408; 90; 90; 90;

COD ID: 4346981
CIF file	Formula: - C8 H6 Gd5 O22 - Comments: Biswas, Soumava; Mondal, Amit Kumar; Konar, Sanjit Densely Packed Lanthanide Cubane Based 3D Metal-Organic Frameworks for Efficient Magnetic Refrigeration and Slow Magnetic Relaxation. Inorganic chemistry 55(5) (2016) 2085-2090 Space group: I -4 2 m Cell volume: 2442.1 Cell parameters: 10.925; 10.925; 20.461; 90; 90; 90;

COD ID: 4348685

Formula: - C76 H90 Ga2 N4 O10 S4 -
Comments: Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V. Ligand "Brackets" for Ga-Ga Bond. Inorganic chemistry 55(17) (2016) 9047-9056
Space group: I -4 2 m
Cell volume: 4035.3
Cell parameters: 12.97508; 12.97508; 23.9693; 90; 90; 90;

COD ID: 4350119

Formula: - C4 H22.68 Co4 F0.68 N4 O16.32 P4 -
Comments: Chang, Wei-Kuo; Wur, Ching-Shuei; Wang, Sue-Lein; Chiang, Ray-Kuang Hydrothermal synthesis and characterization of two cobalt phosphates based on double-four-ring units with fluorine-occlusion and phosphite-substitution modifications. Inorganic chemistry 45(17) (2006) 6622-6627
Space group: I -4 2 m
Cell volume: 994.69
Cell parameters: 10.2033; 10.2033; 9.5545; 90; 90; 90;

COD ID: 4509455

Formula: - C6 H14 Cd3 N21 O2.5 -
Comments: Hsiu-Mei, Lin; Tsung-Yuan, Chang A Three-Dimensional Porous Metal−Organic Framework with a Body-Centered Cubic Topology Constructed from 48-Membered Tetraicosanuclear Metallamacrocycle Based on in Situ Ligand Synthesis Crystal Growth & Design 9(7) (2009) 2988
Space group: I -4 2 m
Cell volume: 9136.6
Cell parameters: 22.1918; 22.1918; 18.5523; 90; 90; 90;

COD ID: 5910176
CIF file	Formula: - Cr K3 O8 - Comments: Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 455-455 Space group: I -4 2 m Cell volume: 341.164 Cell parameters: 6.7; 6.7; 7.6; 90; 90; 90;

COD ID: 5910198
CIF file	Formula: - K3 O8 Ta - Comments: Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 455-455 Space group: I -4 2 m Cell volume: 362.231 Cell parameters: 6.78; 6.78; 7.88; 90; 90; 90;

COD ID: 5910238
CIF file	Formula: - Cs3 O8 Ta - Comments: Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 455-455 Space group: I -4 2 m Cell volume: 453.003 Cell parameters: 7.37; 7.37; 8.34; 90; 90; 90;

COD ID: 5910301
CIF file	Formula: - K3 Nb O8 - Comments: Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 3 (1951) 455-455 Space group: I -4 2 m Cell volume: 361.312 Cell parameters: 6.78; 6.78; 7.86; 90; 90; 90;

COD ID: 6000776
CIF file	Formula: - C H6 Al0.16 Co0.84 N O4.5 P - Comments: Christensen, A. N.; Hazell, R. G. Use of hydrofluoric acid as mineralizer in hydrothermal and organothermal synthesis of Me2±substituted aluminophosphates. I. Acta Chemica Scandinavica 53 (1999) 403-409 Space group: I -4 2 m Cell volume: 994.01 Cell parameters: 10.1724; 10.1724; 9.606; 90; 90; 90;

COD ID: 7002849

Formula: - C12 H36 Br2 P4 Tc -
Comments: Poineau, Frederic; Weck, Philippe F.; Forster, Paul M.; Sattelberger, Alfred P.; Czerwinski, Kenneth R. Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)4] and [Tc2Br4(PMe3)4] complexes Dalton Transactions (issue 46) (2009) 10338-10342
Space group: I -4 2 m
Cell volume: 1088.8
Cell parameters: 9.4771; 9.4771; 12.123; 90; 90; 90;

COD ID: 7018290

Formula: - C100 H123 Cl8 Mn4 N16 Ni4 O57.5 -
Comments: Alexandropoulos, Dimitris I.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Mukherjee, Shreya; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Christou, George; Stamatatos, Theocharis C. "Squaring the clusters": a Mn(III)(4)Ni(II)(4) molecular square from nickel(ii)-induced structural transformation of a Mn(II/III/IV)(12) cage. Dalton transactions (Cambridge, England : 2003) 41(16) (2012) 4744-4747
Space group: I -4 2 m
Cell volume: 7320.1
Cell parameters: 16.7927; 16.7927; 25.9583; 90; 90; 90;

COD ID: 7029757

Formula: - C56 H140 Fe O44 Ti14 -
Comments: Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S. A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania. Dalton transactions (Cambridge, England : 2003) 43(23) (2014) 8679-8689
Space group: I -4 2 m
Cell volume: 4923.9
Cell parameters: 14.379; 14.379; 23.815; 90; 90; 90;

COD ID: 7029758

Formula: - C56 H140 Ga O44 Ti14 -
Comments: Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S. A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania. Dalton transactions (Cambridge, England : 2003) 43(23) (2014) 8679-8689
Space group: I -4 2 m
Cell volume: 4946
Cell parameters: 14.398; 14.398; 23.859; 90; 90; 90;

COD ID: 7031188

Formula: - C24 H52 Cu4 I4 N4 -
Comments: Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state. Dalton transactions (Cambridge, England : 2003) 43(25) (2014) 9448-9455
Space group: I -4 2 m
Cell volume: 1810.1
Cell parameters: 9.9963; 9.9963; 18.114; 90; 90; 90;

COD ID: 7034870

Formula: - Cu2.2 Se3.69 Sn Te0.31 Zn0.8 -
Comments: Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S. Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4). Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9014-9019
Space group: I -4 2 m
Cell volume: 370.91
Cell parameters: 5.70846; 5.70846; 11.3823; 90; 90; 90;

COD ID: 7034871

Formula: - Cu2.2 Se3.8 Sn Te0.2 Zn0.79 -
Comments: Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S. Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4). Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9014-9019
Space group: I -4 2 m
Cell volume: 368.73
Cell parameters: 5.69703; 5.69703; 11.3608; 90; 90; 90;

COD ID: 7034872

Formula: - Cu2.2 Se3.63 Sn Te0.37 Zn0.8 -
Comments: Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S. Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4). Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9014-9019
Space group: I -4 2 m
Cell volume: 372.27
Cell parameters: 5.7151; 5.7151; 11.3974; 90; 90; 90;

COD ID: 7034873

Formula: - Cu2.2 Se3.9 Sn Te0.1 Zn0.78 -
Comments: Dong, Yongkwan; Eckert, Brian; Wang, Hsin; Zeng, Xiaoyu; Tritt, Terry M.; Nolas, George S. Synthesis, crystal structure, and transport properties of Cu2.2Zn0.8SnSe4-xTex (0.1 ≤ x ≤ 0.4). Dalton transactions (Cambridge, England : 2003) 44(19) (2015) 9014-9019
Space group: I -4 2 m
Cell volume: 366.02
Cell parameters: 5.68351; 5.68351; 11.3311; 90; 90; 90;

COD ID: 7039454

Formula: - C44.38 H75.5 P3 Ru Si -
Comments: MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation. Dalton transactions (Cambridge, England : 2003) 45(40) (2016) 15850-15858
Space group: I -4 2 m
Cell volume: 8820.8
Cell parameters: 22.5341; 22.5341; 17.3711; 90; 90; 90;

COD ID: 7054040

Formula: - C96 H188 Cl4 Mn10 O44 P4 -
Comments: Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes New Journal of Chemistry 38(4) (2014) 1587
Space group: I -4 2 m
Cell volume: 7383.2
Cell parameters: 22.4667; 22.4667; 14.6274; 90; 90; 90;

COD ID: 7057865
CIF file	Formula: - C32 H40 Fe8 Mo2 N8 O40 - Comments: Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption New Journal of Chemistry 42(23) (2018) 18526 Space group: I -4 2 m Cell volume: 1318.21 Cell parameters: 9.7754; 9.7754; 13.7948; 90; 90; 90;

COD ID: 7059448
CIF file	Formula: - C29 H18 O10 Zn2 - Comments: Guo, Qi; Ma, Tingting; Zhou, Liuqing; Ma, Jing-xin; Yang, Jinhui; Yang, Qingfeng Efficient detection of Cr3+ and Cr2O72− using a Zn(ii) luminescent metal‒organic framework New Journal of Chemistry 44(18) (2020) 7293-7299 Space group: I -4 2 m Cell volume: 12539.3 Cell parameters: 18.8435; 18.8435; 35.3142; 90; 90; 90;

COD ID: 7063074

Formula: - Ba5 O40 Si8 Y12 Zn -
Comments: Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units New Journal of Chemistry 48(8) (2024) 3594-3602
Space group: I -4 2 m
Cell volume: 1876.02
Cell parameters: 18.7014; 18.7014; 5.364; 90; 90; 90;

COD ID: 7104704

Formula: - C6 H9 Cd3 Cl3 N12 -
Comments: Qiu, Yongcai; Deng, Hong; Mou, Jixia; Yang, Shihe; Zeller, Matthias; Batten, Stuart R; Wu, Haohan; Li, Jing In situ tetrazole ligand synthesis leading to a microporous cadmium-organic framework for selective ion sensing. Chemical communications (Cambridge, England) 34(36) (2009) 5415-5417
Space group: I -4 2 m
Cell volume: 9205.78
Cell parameters: 22.2338; 22.2338; 18.6223; 90; 90; 90;

COD ID: 7109512
CIF file	Formula: - C6 H4 Mo N6 O8 Zn2 - Comments: Chandan Dey; Rahul Banerjee Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF) Chem.Commun. 49 (2013) 6617 Space group: I -4 2 m Cell volume: 1861.57 Cell parameters: 13.6272; 13.6272; 10.0246; 90; 90; 90;

COD ID: 7117863
CIF file	Formula: - Cu2 S4 W - Comments: Crossland, C.J.; Evans, J.S.O. Synthesis and characterisation of a new high pressure polymorph of Cu2 W S4 Chemical Communications 2003 (2003) 2292-2293 Space group: I -4 2 m Cell volume: 298.437 Cell parameters: 5.44427; 5.44427; 10.0687; 90; 90; 90;

COD ID: 7123978
CIF file	Formula: - C168 H276 Cl4 N30 Nb4 O180 S7 V40 - Comments: Gong, Yaru; Tao, Yanli; Xu, Na; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min Two polyoxovanadate-based metal-organic polyhedra with undiscovered “Near-miss Johnson Solid” geometry† Chemical Communications (2019) Space group: I -4 2 m Cell volume: 21145 Cell parameters: 21.854; 21.854; 44.273; 90; 90; 90;

COD ID: 7124311
CIF file	Formula: - Be H12 N10 - Comments: Müller, Matthias; Buchner, Magnus Richard Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I). Chemical Communications (2019) Space group: I -4 2 m Cell volume: 414.37 Cell parameters: 8.014; 8.014; 6.4519; 90; 90; 90;

COD ID: 7127226

Formula: - C336 H304 Br82.4 Co8 N48 O34 -
Comments: Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Ruiz-García, Rafael; Cano, Joan Electroswitching of the single-molecule magnet behaviour in an octahedral spin crossover cobalt(ii) complex with a redox-active pyridinediimine ligand. Chemical communications (Cambridge, England) 56(81) (2020) 12242-12245
Space group: I -4 2 m
Cell volume: 10665
Cell parameters: 24.552; 24.552; 17.693; 90; 90; 90;

COD ID: 7132100
CIF file	Formula: - C40 H60 Cl4 O4 Ti4 - Comments: Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal 16-vertex Oblato-Hypho-Titanaborane [(CpTi)2B14H18] Chemical Communications (2023) Space group: I -4 2 m Cell volume: 2545.33 Cell parameters*: 16.8466; 16.8466; 8.9685; 90; 90; 90;

COD ID: 7204076

Formula: - C10 H20 Ga4 N2 O21 P4 -
Comments: Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E. The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials Journal of Materials Chemistry 11(7) (2001) 1850
Space group: I -4 2 m
Cell volume: 1246.2
Cell parameters: 13.016; 13.016; 7.356; 90; 90; 90;

COD ID: 7209358
CIF file	Formula: - Ag2 Ba Ge S4 - Comments: Teske, C.L. Darstellung und Kristallstruktur von Silber-Barium-Thiogermanat(IV): Ag2 Ba Ge S4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 544-547 Space group: I -4 2 m Cell volume: 373.765 Cell parameters: 6.828; 6.828; 8.017; 90; 90; 90;

COD ID: 7219049
CIF file	Formula: - C24 H4 Cu In N4 O8 - Comments: Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian High and Selective Sorption of C2 Hydrocarbons in Heterometal-Organic Frameworks Built from Tetrahedral Units RSC Adv. (2014) Space group: I -4 2 m Cell volume: 1702.31 Cell parameters: 11.1032; 11.1032; 13.8084; 90; 90; 90;

COD ID: 7220526

Formula: - Cu2 Se4 Sn Zn -
Comments: Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe). Physical chemistry chemical physics : PCCP 17(23) (2015) 15088-15092
Space group: I -4 2 m
Cell volume: 367.961
Cell parameters: 5.69647; 5.69647; 11.3394; 90; 90; 90;

COD ID: 7234479
CIF file	Formula: - Cu2.1 Fe0.9 Se4 Sn - Comments: Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides Journal of Materials Chemistry C 3(40) (2015) 10436-10441 Space group: I -4 2 m Cell volume: 366.463 Cell parameters: 5.6898; 5.6898; 11.31972; 90; 90; 90;

COD ID: 7234480
CIF file	Formula: - Cu2.2 Fe0.8 Se4 Sn - Comments: Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides Journal of Materials Chemistry C 3(40) (2015) 10436-10441 Space group: I -4 2 m Cell volume: 366.143 Cell parameters: 5.692729; 5.692729; 11.29822; 90; 90; 90;

COD ID: 7234481
CIF file	Formula: - Cu2.2 Fe0.6 Se4 Sn Zn0.2 - Comments: Yongkwan Dong; Lukasz Wojtas; Joshua Martin; George S. Nolas Synthesis, Crystal Structure, and Transport Properties of Quaternary Tetrahedral Chalcogenides Journal of Materials Chemistry C 3(40) (2015) 10436-10441 Space group: I -4 2 m Cell volume: 365.653 Cell parameters: 5.682492; 5.682492; 11.32378; 90; 90; 90;

COD ID: 7236124

Formula: - C27 H36.5 N3 Ni1.5 O12.25 P3 -
Comments: Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid Journal of Materials Chemistry A 4(4) (2016) 1353
Space group: I -4 2 m
Cell volume: 7855.7
Cell parameters: 18.5126; 18.5126; 22.922; 90; 90; 90;

COD ID: 7236125

Formula: - C27 H37 N3 Ni1.5 O12.5 P3 -
Comments: Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid Journal of Materials Chemistry A 4(4) (2016) 1353
Space group: I -4 2 m
Cell volume: 7898.1
Cell parameters: 18.5564; 18.5564; 22.937; 90; 90; 90;

COD ID: 7241491

Formula: - Cu1.94 S4 Sn Zn1.06 -
Comments: Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V. Cu2ZnSnS4 crystal growth using an SnCl2 based flux CrystEngComm 23(4) (2021) 1025-1032
Space group: I -4 2 m
Cell volume: 320.76
Cell parameters: 5.4383; 5.4383; 10.8455; 90; 90; 90;

COD ID: 7247463

Formula: - Cl4 Co7.38 Na O16 P4 -
Comments: Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype CrystEngComm 25(43) (2023) 6006-6016
Space group: I -4 2 m
Cell volume: 847.91
Cell parameters: 9.115; 9.115; 10.2056; 90; 90; 90;

COD ID: 7702075

Formula: - C20 H32 Cl4 Nb P4 -
Comments: Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin Niobium tetrahalide complexes with neutral diphosphine ligands. Dalton transactions (Cambridge, England : 2003) 45(19) (2016) 8192-8200
Space group: I -4 2 m
Cell volume: 1304.4
Cell parameters: 8.9876; 8.9876; 16.1482; 90; 90; 90;

COD ID: 7708689

Formula: - C83 H81 N2 O44 Zr6 -
Comments: Wang, Xiangxiang; Zhang, Hao; Qi, Chao; Zhou, Fan; Ni, Linhan; Chen, Saisai; Qi, Junwen; Wang, Chaohai; Zheng, Tao; Li, Jiansheng Hydrangea-like architectures composed of Zr-based metal–organic framework nanosheets with enhanced iodine capture Dalton Transactions (2021)
Space group: I -4 2 m
Cell volume: 23936
Cell parameters: 30.976; 30.976; 24.946; 90; 90; 90;

COD ID: 7713316

Formula: - K3 Nb O8 -
Comments: Talukdar, Hiya; Gogoi, Sandhya Rani; Sultana, Sazida Yasmin; Begum, Reshma; Dowerah, Dikshita; Sarma, Bipul; Islam, Nashreen S. Oxido- and Mixed-Ligand Peroxido Complexes of Niobium(V) as Potent Phosphatase Inhibitors and Efficient Catalysts for Eco-Friendly Styrene Epoxidation Dalton Transactions (2023)
Space group: I -4 2 m
Cell volume: 357.78
Cell parameters: 6.785; 6.785; 7.7718; 90; 90; 90;

COD ID: 8100228
CIF file	Formula: - Ag4 As2 K2 O8 - Comments: Curda, Jan; Peters, Eva-Maria; Klein, Wilhelm; Jansen, Martin Crystal structure of potassium disilver arsenate(V), KAg~2~AsO~4~ Zeitschrift für Kristallographie - New Crystal Structures 219(4) (2004) 345-345 Space group: I -4 2 m Cell volume: 246.79 Cell parameters: 5.9033; 5.9033; 7.0816; 90; 90; 90;

COD ID: 8101380
CIF file	Formula: - C24 H20 B Cs - Comments: Bryan, Jeffrey C. Crystal structure of caesium tetraphenylborate, (C~24~H~20~B)Cs Zeitschrift für Kristallographie - New Crystal Structures 215(4) (2000) 621-622 Space group: I -4 2 m Cell volume: 1038.99 Cell parameters: 11.1647; 11.1647; 8.3352; 90; 90; 90;

COD ID: 8104120
CIF file	Formula: - Cu3 Sb Se4 - Comments: Pfitzner, A. Crystal structure of tricopper tetraselenoantimonate(V), Cu3 Sb Se4 Zeitschrift fuer Kristallographie (149,1979-) 209 (1994) 685-685 Space group: I -4 2 m Cell volume: 361.476 Cell parameters: 5.6609; 5.6609; 11.28; 90; 90; 90;

COD ID: 8104122
CIF file	Formula: - Cu3 S4 Sb - Comments: Pfitzner, A.; Reiser, S. Refinement of the crystal structures of Cu3 P S4 and Cu3 Sb S4 and a comment on normal tetrahedral structures Zeitschrift fuer Kristallographie (149,1979-) 217 (2002) 51-54 Space group: I -4 2 m Cell volume: 312.824 Cell parameters: 5.3911; 5.3911; 10.7633; 90; 90; 90;

COD ID: 8104318
CIF file	Formula: - Al2 Hg S4 - Comments: Schwer, H.; Kraemer, V. The crystal structures of Cd Al2S4, Hg Al2S4, and Hg Ga2S4 Zeitschrift fuer Kristallographie (149,1979-) 190 (1990) 103-110 Space group: I -4 2 m Cell volume: 308.964 Cell parameters: 5.5059; 5.5059; 10.1918; 90; 90; 90;

COD ID: 8104518
CIF file	Formula: - In2 Se4 Zn - Comments: Trah, H.P.; Kraemer, V. Crystal structure of zinc indium selenide, Zn In2 Se4 Zeitschrift fuer Kristallographie (149,1979-) 173 (1985) 199-203 Space group: I -4 2 m Cell volume: 373.219 Cell parameters: 5.7095; 5.7095; 11.449; 90; 90; 90;

COD ID: 9004129
CIF file	Formula: - Cd0.02 Cu2 Fe0.8 S4 Sn Zn0.18 - Comments: Hall, S. R.; Szymanski, J. T.; Stewart, J. M. Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, structurally similar but distinct minerals The Canadian Mineralogist 16 (1978) 131-137 Space group: I -4 2 m Cell volume: 319.393 Cell parameters: 5.449; 5.449; 10.757; 90; 90; 90;

COD ID: 9004130
CIF file	Formula: - Cd0.37 Cu2 Fe0.29 Mn0.01 S4 Sn Zn0.33 - Comments: Szymanski, J. T. The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite Note: z-coordinate for S atom changed in order to reproduce bond lengths. The Canadian Mineralogist 16 (1978) 147-151 Space group: I -4 2 m Cell volume: 326.603 Cell parameters: 5.487; 5.487; 10.848; 90; 90; 90;

COD ID: 9004745
CIF file	Formula: - Cu2 Fe S4 Sn - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe100 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 318.531 Cell parameters: 5.4495; 5.4495; 10.726; 90; 90; 90;

COD ID: 9004746
CIF file	Formula: - Cu2 Fe0.8 S4 Sn Zn0.2 - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe080 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 319.041 Cell parameters: 5.446; 5.446; 10.757; 90; 90; 90;

COD ID: 9004747
CIF file	Formula: - Cu2 Fe0.5 S4 Sn Zn0.5 - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe050 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 319.471 Cell parameters: 5.4329; 5.4329; 10.8235; 90; 90; 90;

COD ID: 9004748
CIF file	Formula: - Cu2 Fe0.3 S4 Sn Zn0.7 - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe030 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 319.852 Cell parameters: 5.425; 5.425; 10.868; 90; 90; 90;

COD ID: 9004749
CIF file	Formula: - Cu2 Fe0.2 S4 Sn Zn0.8 - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe020 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 320.088 Cell parameters: 5.428; 5.428; 10.864; 90; 90; 90;

COD ID: 9004750
CIF file	Formula: - Cu2 S4 Sn Zn - Comments: Bonazzi, P.; Bindi, L.; Bernardini, G. P.; Menchetti, S. A model for the mechanism of incorporation of Cu, Fe and Zn in the stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4 Sample: Fe000 The Canadian Mineralogist 41 (2003) 639-647 Space group: I -4 2 m Cell volume: 320.56 Cell parameters: 5.434; 5.434; 10.856; 90; 90; 90;

COD ID: 9008118
CIF file	Formula: - As0.685 Cu3 S4 Sb0.315 - Comments: Marumo, F.; Nowacki, W. A refinement of the crystal structure of luzonite, Cu3AsS4 Zeitschrift fur Kristallographie 124 (1967) 1-8 Space group: I -4 2 m Cell volume: 300.507 Cell parameters: 5.332; 5.332; 10.57; 90; 90; 90;

COD ID: 9008281
CIF file	Formula: - Ag Cl O4 - Comments: Berthold, H. J.; Ludwig, W.; Wartchow, R. Verfeinrung der kristallstruktur des silberperchlorats AgClO4 Zeitschrift fur Kristallographie 149 (1979) 327-335 Space group: I -4 2 m Cell volume: 167.035 Cell parameters: 4.976; 4.976; 6.746; 90; 90; 90;

COD ID: 9011133
CIF file	Formula: - Cu3 S4 Sb - Comments: Garin, J.; Parthe, E. The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4 Acta Crystallographica, Section B 28 (1972) 3672-3674 Space group: I -4 2 m Cell volume: 311.847 Cell parameters: 5.385; 5.385; 10.754; 90; 90; 90;

COD ID: 9011869
CIF file	Formula: - Cu1.6 Hg0.875 S4 Sn Zn0.28 - Comments: Kaplunnik, L. N.; Pobedimskaya, E. A.; Belov, N. V. Crystal structure of velikite Cu3.75Hg1.75Sn2S8 Soviet Physics Crystallography 22 (1977) 99-100 Space group: I -4 2 m Cell volume: 335.026 Cell parameters: 5.542; 5.542; 10.908; 90; 90; 90;

COD ID: 9012061
CIF file	Formula: - Cu2 Fe Ge S4 - Comments: Wintenberger, M. Etude de la structure cristallographique et magnetique de Cu2FeGeS4 et remarque sur la structure magnetique de Cu2MnSnS4 Materials Research Bulletin 14 (1979) 1195-1202 Space group: I -4 2 m Cell volume: 298.018 Cell parameters: 5.325; 5.325; 10.51; 90; 90; 90;

COD ID: 9012224
CIF file	Formula: - Cu0.999 S1.5 Sn0.501 - Comments: Chen, X.; Wada, H.; Sato, A.; Mieno, M. Synthesis, electrical conductivity, and crystal structure of Cu4Sn7S16 and structure refinement of Cu2SnS3 Journal of Solid State Chemistry 139 (1998) 144-151 Space group: I -4 2 m Cell volume: 317.149 Cell parameters: 5.413; 5.413; 10.824; 90; 90; 90;

COD ID: 9012869

Formula: - As2 Cu Fe0.46 Hg0.38 S6 Tl Zn1.16 -
Comments: Graeser, S.; Schwander, H.; Wulf, R.; Edenharter, A. Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite: description and crystal structure determination Schweizerische Mineralogische und Petrographische Mitteilungen 75 (1995) 337-345
Space group: I -4 2 m
Cell volume: 1064.47
Cell parameters: 9.865; 9.865; 10.938; 90; 90; 90;

COD ID: 9014420
CIF file	Formula: - As0.264 Cu3 S4 Sb0.736 - Comments: Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.3Sb0.7S4 Zeitschrift fur Kristallographie 219 (2004) 20-26 Space group: I -4 2 m Cell volume: 305.229 Cell parameters: 5.353; 5.353; 10.652; 90; 90; 90;

COD ID: 9016655
CIF file	Formula: - As0.67 Cu3 S4 Sb0.33 - Comments: Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.7Sb0.3S4 Zeitschrift fur Kristallographie 219 (2004) 20-26 Space group: I -4 2 m Cell volume: 297.634 Cell parameters: 5.315; 5.315; 10.536; 90; 90; 90;

COD ID: 9017194
CIF file	Formula: - B2 Ba2 Ca O14 Si4 - Comments: Kampf, A. R.; Peterson, R. C.; Joy, B. R. Itsiite, Ba2Ca(BSi2O7)2, a new mineral species from Yukon, Canada: description and crystal structure The Canadian Mineralogist 52 (2014) 401-407 Space group: I -4 2 m Cell volume: 1235.79 Cell parameters: 10.9515; 10.9515; 10.3038; 90; 90; 90;

COD ID: 9017637

Formula: - Ag0.88 As1.58 Cu0.13 Hg1.91 S6 Sb0.42 Tl1.64 Zn0.08 -
Comments: Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Orlandi, P.; Bindi, L.; D'Orazio M; Vezzoni, S. Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy). II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine: occurrence, crystal structure and crystal chemistry of the routhierite isotypic series Note: sample A Mineralogical Magazine 78 (2014) 101-117
Space group: I -4 2 m
Cell volume: 1166.07
Cell parameters: 10.1386; 10.1386; 11.3441; 90; 90; 90;

COD ID: 9017670
CIF file	Formula: - Al16.66 As11.34 Ba1.96 Cu0.4 H61.38 O87.09 - Comments: Grey, I. E.; Mumme, W. G.; Price, J. R.; Mills, S. J.; Macrae, C. M.; Favreau, G. BaCu ordering in bariopharmacoalumite-Q2a2b2c from Cap Garonne, France Mineralogical Magazine 78 (2014) 851-860 Space group: I -4 2 m Cell volume: 3690.95 Cell parameters: 15.405; 15.405; 15.553; 90; 90; 90;

COD ID: 9017706

Formula: - Ag0.634 As1.99 Cu0.249 Fe0.468 Hg0.318 S6 Sb0.01 Tl Zn1.331 -
Comments: Bindi, L.; Biagioni, C.; Raber, T.; Roth, T.; Nestola, F. Ralphcannonite, AgZn2TlAs2S6, a new mineral of the routhierite isotypic series from Lengenbach, Binn Valley, Switzerland Mineralogical Magazine 79 (2015) 1089-1098
Space group: I -4 2 m
Cell volume: 1081.79
Cell parameters: 9.861; 9.861; 11.125; 90; 90; 90;

COD ID: 9017707