Crystallography Open Database

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Searching space group like 'P 41 3 2'

COD ID: 1509852
CIF file Formula: - Ag3.84 S8 Sn3 -
Comments: Amiel, O.; Wada, H.; Frankel, D.C. Crystal structure and conductivity of the new superionic conductors Ag4 Zr3 S8 and Ag3.8 Sn3 S8 Journal of Solid State Chemistry 116 (1995) 409-421
Space group: P 41 3 2
Cell volume: 1260.17
Cell parameters: 10.8013; 10.8013; 10.8013; 90; 90; 90;  

COD ID: 1509861
CIF file Formula: - Ag3.925 I5 K -
Comments: Hull, S.; Sivia, D.S.; Keen, D.A.; Berastegui, P. Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides I. Superionic phases of stoichiometry M A4 I5: Rb Ag4 I5, K Ag4 I5, and K Cu4 I5 Journal of Solid State Chemistry 165 (2002) 363-371
Space group: P 41 3 2
Cell volume: 1389.28
Cell parameters: 11.15827; 11.15827; 11.15827; 90; 90; 90;  

COD ID: 1509879
CIF file Formula: - Ag4 I5 Rb -
Comments: Geller, S. Crystal Structure of the Solid Electrolyte, Rb Ag4 I5 Science 157 (1967) 310-312
Space group: P 41 3 2
Cell volume: 1420.04
Cell parameters: 11.24; 11.24; 11.24; 90; 90; 90;  

COD ID: 1513174
CIF file Formula: - C231 H700 F20 Ge80 N21 O524 Si112 -
Comments: Sun, Junliang; Bonneau, Charlotte; Cantín, Ángel; Corma, Avelino; Díaz-Cabañas, María J.; Moliner, Manuel; Zhang, Daliang; Li, Mingrun; Zou, Xiaodong The ITQ-37 mesoporous chiral zeolite. Nature 458(7242) (2009) 1154-1157
Space group: P 41 3 2
Cell volume: 18636.2
Cell parameters: 26.51263; 26.51263; 26.51263; 90; 90; 90;  

COD ID: 1521060
CIF file Formula: - Ba24 Ge100 -
Comments: Fukuoka, H.; Iwai, K.; Yamanaka, S.; Abe, H.; Yoza, K.; Haeming, L. Preparation and structure of a new germanium clathrate, Ba24 Ge100 Journal of Solid State Chemistry 151 (2000) 117-121
Space group: P 41 3 2
Cell volume: 3088.85
Cell parameters: 14.5635; 14.5635; 14.5635; 90; 90; 90;  

COD ID: 1521401
CIF file Formula: - Ba6 Ge24 -
Comments: Kim, S.-J.; Hu, S.-Q.; Huang, B.-Q.; Uher, C.; Corbett, J.D.; Hogan, T.; Kanatzidis, M.G. Structure and thermoelectric properties of Ba6 Ge25-x, Ba6 Ge23 Sn2, and Ba6 Ge22 In3: Zintl phases with a chiral clathrate structure Journal of Solid State Chemistry 153 (2000) 321-329
Space group: P 41 3 2
Cell volume: 3079.19
Cell parameters: 14.5483; 14.5483; 14.5483; 90; 90; 90;  

COD ID: 1523080
CIF file Formula: - Mg3 Ru2 -
Comments: Westin, L.; Edshammar, L.E. Intermetallic compounds in the ruthenium-magnesium system Chemica Scripta 3 (1973) 15-22
Space group: P 41 3 2
Cell volume: 332.669
Cell parameters: 6.929; 6.929; 6.929; 90; 90; 90;  

COD ID: 1525802
CIF file Formula: - Na3 O23 P8 Ti -
Comments: Chudinova, N.; Murashova, E. Synthesis and structure of double phosphates of titanium and alkali metals Proc. Estonian Acad. Sci. Chem. 49 (2000) 29-35
Space group: P 41 3 2
Cell volume: 1714.21
Cell parameters: 11.968; 11.968; 11.968; 90; 90; 90;  

COD ID: 1525892
CIF file Formula: - C2 H12 N6 O4 S -
Comments: Dera, P.; Katrusiak, A.; Szafranski, M. Structures of diguanidinium sulfate and guanidinium hydrogen sulfate Polish Journal of Chemistry 74 (2000) 1637-1644
Space group: P 41 3 2
Cell volume: 5605.6
Cell parameters: 17.764; 17.764; 17.764; 90; 90; 90;  

COD ID: 1527325
CIF file Formula: - Ru Zn6 -
Comments: Edstroem, V.A.; Westman, S. The crystal structure of the primitive cubic, non-centro- symmetric phase Ru Zn6 Chemica Scripta 1 (1971) 137-143
Space group: P 41 3 2
Cell volume: 3765.47
Cell parameters: 15.5575; 15.5575; 15.5575; 90; 90; 90;  

COD ID: 1529980
CIF file Formula: - Cl3 Cu3.886 I2 Rb -
Comments: Geller, S.; Akridge, J.R.; Wilber, S.A. Crystal structure and conductivity of the solid electrolyte alpha-Rb Cu4 Cl3 I2 Physical Review, Serie 3. B - Condensed Matter (18,1978-) 19 (1979) 5396-5402
Space group: P 41 3 2
Cell volume: 1009.63
Cell parameters: 10.032; 10.032; 10.032; 90; 90; 90;  

COD ID: 1532001
CIF file Formula: - Co2 Mo3 N -
Comments: Prior, T.J.; Battle, P.D. Facile synthesis of interstitial metal nitrides with the filled beta-manganese structure Journal of Solid State Chemistry 172 (2003) 138-147
Space group: P 41 3 2
Cell volume: 296.114
Cell parameters: 6.6653; 6.6653; 6.6653; 90; 90; 90;  

COD ID: 1535840
CIF file Formula: - Ba6 Ge25 -
Comments: Carillo-Cabrera, W.; Grin', Yu.; Borrmann, H.; Baenitz, M.; Paschen, S.; Steglich, F. Ba6 Ge25: low-temperature Ge-Ge bond breaking during temperature-induced structure transformation Journal of Solid State Chemistry 178 (2005) 715-728
Space group: P 41 3 2
Cell volume: 3080.4
Cell parameters: 14.5502; 14.5502; 14.5502; 90; 90; 90;  

COD ID: 1536051
CIF file Formula: - Cr Na3 O23 P8 -
Comments: Chudinova, N.N.; Murashova, E.V.; Karmanovskaya, N.B. Double ultraphosphates Na3 M P8 O23(M=Cr, V, Mn, Al, Ga). Synthesis and crystal structure Zhurnal Neorganicheskoi Khimii 39 (1994) 1769-1772
Space group: P 41 3 2
Cell volume: 1687.28
Cell parameters: 11.905; 11.905; 11.905; 90; 90; 90;  

COD ID: 1536054
CIF file Formula: - Na3 O23 P8 V -
Comments: Chudinova, N.N.; Murashova, E.V.; Karmanovskaya, N.B. Double ultraphosphates Na3 M P8 O23(M=Cr, V, Mn, Al, Ga). Synthesis and crystal structure Zhurnal Neorganicheskoi Khimii 39 (1994) 1769-1772
Space group: P 41 3 2
Cell volume: 1703.49
Cell parameters: 11.943; 11.943; 11.943; 90; 90; 90;  

COD ID: 1536080
CIF file Formula: - H6 Hg3 N6 O9 -
Comments: Nockemann, P.; Meyer, G. Bildung von N H4 (Hg3 (N H)2)(N O3)3 und Umwandlung in (Hg2 N) (N O3) Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 2709-2714
Space group: P 41 3 2
Cell volume: 1093.87
Cell parameters: 10.3036; 10.3036; 10.3036; 90; 90; 90;  

COD ID: 1536415
CIF file Formula: - Al Na3 O23 P8 -
Comments: Palkina, K.K.; Maksimova, S.I.; Chudinova, N.N.; Chibiskova, N.T.; Karmanovskaya, N.B. Double ultraphosphates Na3 M(III) P8 O23 (M(III)= Ga, Al) Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 29 (1993) 119-120
Space group: P 41 3 2
Cell volume: 1672.45
Cell parameters: 11.87; 11.87; 11.87; 90; 90; 90;  

COD ID: 1536417
CIF file Formula: - Ga Na3 O23 P8 -
Comments: Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Karmanovskaya, N.B.; Chudinova, N.N. Double ultraphosphates Na3 M(III) P8 O23 (M(III) = Ga, Al) Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 29 (1993) 119-120
Space group: P 41 3 2
Cell volume: 1678.37
Cell parameters: 11.884; 11.884; 11.884; 90; 90; 90;  

COD ID: 1539039
CIF file Formula: - Mn -
Comments: Preston, G.D. Crystal structure of beta-manganese Philosophical Magazine, Serie 6 (1901-1925) 5 (1928) 1207-1226
Space group: P 41 3 2
Cell volume: 251.777
Cell parameters: 6.3145; 6.3145; 6.3145; 90; 90; 90;  

COD ID: 1541139
CIF file Formula: - Mn -
Comments: Preston, G.D. Crystal structure of beta-manganese Philosophical Magazine, Serie 6 (1901-1925) 5 (1928) 1207-1225
Space group: P 41 3 2
Cell volume: 248.858
Cell parameters: 6.29; 6.29; 6.29; 90; 90; 90;  

COD ID: 1542132
CIF file Formula: - Si2 Sr -
Comments: Kripyakevich, P.I.; Gladyshevskii, E.I. The crystal structure of strontium disilicide Kristallografiya 11 (1966) 818-821
Space group: P 41 3 2
Cell volume: 279.085
Cell parameters: 6.535; 6.535; 6.535; 90; 90; 90;  

COD ID: 1542545
CIF file Formula: - C14 H3.5 F10.5 N7 -
Comments: Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation. Chemical communications (Cambridge, England) 52(28) (2016) 4991-4994
Space group: P 41 3 2
Cell volume: 3976.4
Cell parameters: 15.8427; 15.8427; 15.8427; 90; 90; 90;  

COD ID: 1546016
CIF file Formula: - C36 H24 B Br3 Cl2 F10 -
Comments: Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ 4(4) (2017)
Space group: P 41 3 2
Cell volume: 3574.9
Cell parameters: 15.2905; 15.2905; 15.2905; 90; 90; 90;  

COD ID: 1551319
CIF file Formula: - C30 H62 N8 O16 -
Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159
Space group: P 41 3 2
Cell volume: 8217.7
Cell parameters: 20.1798; 20.1798; 20.1798; 90; 90; 90;  

COD ID: 1559362
CIF file Formula: - Au7 Cu9 Sn4 -
Comments: Karlsen, O. B.; Kjekshus, A.; Romming, C.; Rost, E. The Crystal Structure of the Low-Temperature Au(80-nu)Cu(nu)Sn20 Phase Acta Chemica Scandinavica 46 (1992) 1076-1082
Space group: P 41 3 2
Cell volume: 309.19
Cell parameters: 6.762; 6.762; 6.762; 90; 90; 90;  

COD ID: 1559363
CIF file Formula: - Au4 Cu12 Sn4 -
Comments: Karlsen, O. B.; Kjekshus, A.; Romming, C.; Rost, E. The Crystal Structure of the Low-Temperature Au(80-nu)Cu(nu)Sn20 Phase Acta Chemica Scandinavica 46 (1992) 1076-1082
Space group: P 41 3 2
Cell volume: 295.67
Cell parameters: 6.662; 6.662; 6.662; 90; 90; 90;  

COD ID: 1562752
CIF file Formula: - C70 I8 Sn2 -
Comments: Straus, Daniel B.; Cava, Robert J. Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2 Nano Letters (2021)
Space group: P 41 3 2
Cell volume: 5043.6
Cell parameters: 17.1493; 17.1493; 17.1493; 90; 90; 90;  

COD ID: 2001356
CIF file

Original IUCr paper

 Formula: - Ag3 Cu12 Y5 -
Comments: Zeng, L.; Li, D.; Zhuang, Y. Structure of Ag~3~Cu~12~Y~5~, a new ternary compound Acta Crystallographica Section C 49(9) (1993) 1559-1561
Space group: P 41 3 2
Cell volume: 362
Cell parameters: 7.127; 7.127; 7.127; 90; 90; 90;  

COD ID: 2002845
CIF file Formula: - Cu O6 Sr Te2 -
Comments: Mueller-Buschbaum, Hk; Wulff, L Planare Cu O4-Polygone und eine einseitig offene Te(4+) O3 Koordination in Sr Cu Te2 O6. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 52 (1997) 1341-1344
Space group: P 41 3 2
Cell volume: 1940.4
Cell parameters: 12.4727; 12.4727; 12.4727; 90; 90; 90;  

COD ID: 2003542
CIF file

Original IUCr paper

 Formula: - Ce2 K3 N9 O27 -
Comments: Guillou, N.; Auffrédic, J. P.; Louër, D. Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~ Acta Crystallographica Section C 51(6) (1995) 1032-1034
Space group: P 41 3 2
Cell volume: 2514.1
Cell parameters: 13.5975; 13.5975; 13.5975; 90; 90; 90;  

COD ID: 2018852
CIF file Formula: - Ag0.75 Cu3 Y1.25 -
Comments: Zeng Lingmin; Li Dexuan; Zhuang Yinghong Structure of Ag3 Cu12 Y5, a new ternary compound Acta Crystallographica C (39,1983-) 49 (1993) 1559-1561
Space group: P 41 3 2
Cell volume: 362.01
Cell parameters: 7.127; 7.127; 7.127; 90; 90; 90;  

COD ID: 2022782
CIF file

HKL data

Original IUCr paper

 Formula: - Ag3 Dy2 N9 O27 -
Comments: Klein, Wilhelm Crystal structure of Ag3Dy2(NO3)9 and quantitative comparison to isotypic compounds Acta Crystallographica Section E Crystallographic Communications 79(7) (2023)
Space group: P 41 3 2
Cell volume: 2300.18
Cell parameters: 13.2004; 13.2004; 13.2004; 90; 90; 90;  

COD ID: 2107419
CIF file Formula: - Be2 Cs F5 -
Comments: le Fur, Y.; Aleonard, S. Structure du pentafluorodiberyllate Cs Be2 F5 Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2115-2118
Space group: P 41 3 2
Cell volume: 499.81
Cell parameters: 7.936; 7.936; 7.936; 90; 90; 90;  

COD ID: 2312025
CIF file

HKL data

Original IUCr paper

 Formula: - C12 Fe2 Na O24 Rb5 -
Comments: Piro, O. E.; Echeverría, G A; Baran, E. J. Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>. Acta crystallographica. Section E, Crystallographic communications 74(Pt 7) (2018) 905-909
Space group: P 41 3 2
Cell volume: 2627.79
Cell parameters: 13.7995; 13.7995; 13.7995; 90; 90; 90;  

COD ID: 4002531
CIF file Formula: - Cs16 Li3.996 O96 Si36.0048 Zn7.9992 -
Comments: Park, S.-H.; Gies, H.; Parise, J.B.; Toby, B.H. Characterization of a new microporous lithozincosilicate with ANA topology Chemistry of Materials (1,1989-) 14 (2002) 3187-3196
Space group: P 41 3 2
Cell volume: 2544.76
Cell parameters: 13.6526; 13.6526; 13.6526; 90; 90; 90;  

COD ID: 4002532
CIF file Formula: - Cs12.36 H6.48 Li15.2 O99.24 Si37.08 Zn7.92 -
Comments: Park, S.-H.; Parise, J.B.; Gies, H.; Toby, B.H. Characterization of a new microporous lithozincosilicate with ANA topology Chemistry of Materials (1,1989-) 14 (2002) 3187-3196
Space group: P 41 3 2
Cell volume: 2544.76
Cell parameters: 13.6526; 13.6526; 13.6526; 90; 90; 90;  

COD ID: 4031165
CIF file Formula: - Ba24 Si100 -
Comments: Fukuoka, H.; Yamanaka, S.; Ueno, K. High-pressure synthesis and structure of a new silicon clathrate Ba24 Si100 Journal of Organometallic Chemistry 611 (2000) 543-546
Space group: P 41 3 2
Cell volume: 2784.48
Cell parameters: 14.0685; 14.0685; 14.0685; 90; 90; 90;  

COD ID: 4305398
CIF file Formula: - Mg3 Ru2 -
Comments: Rainer Pöttgen; Viktor Hlukhyy; Aleksey Baranov; Yuri Grin Crystal Structure and Chemical Bonding of Mg3Ru2 Inorganic Chemistry 47 (2008) 6051-6055
Space group: P 41 3 2
Cell volume: 333.56
Cell parameters: 6.9352; 6.9352; 6.9352; 90; 90; 90;  

COD ID: 4308025
CIF file Formula: - C48 H28 N6 O14 Zn3 -
Comments: Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity Inorganic Chemistry 46 (2007) 2725-2734
Space group: P 41 3 2
Cell volume: 16858.9
Cell parameters: 25.6415; 25.6415; 25.6415; 90; 90; 90;  

COD ID: 4319138
CIF file Formula: - C36 H24 Cl Cr Mn N6 O16 Ru -
Comments: E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; J. M. Martínez-Agudo Molecule-Based Magnets Formed by Bimetallic Three-Dimensional Oxalate Networks and Chiral Tris(bipyridyl) Complex Cations. The Series [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII= Ru, Fe, Co, and Ni; MII= Mn, Fe, Co, Ni, Cu, and Zn; ox = Oxalate Dianion) Inorganic Chemistry 40 (2001) 113-120
Space group: P 41 3 2
Cell volume: 3728.2
Cell parameters: 15.506; 15.506; 15.506; 90; 90; 90;  

COD ID: 4321707
CIF file Formula: - Na12 Rb20 Sn100 -
Comments: Svilen Bobev; Slavi C. Sevov Synthesis and Characterization of A3Na10Sn23 (A = Cs, Rb, K) with a New Clathrate-Like Structure and of the Chiral Clathrate Rb5Na3Sn25 Inorganic Chemistry 39 (2000) 5930-5937
Space group: P 41 3 2
Cell volume: 4421.2
Cell parameters: 16.4127; 16.4127; 16.4127; 90; 90; 90;  

COD ID: 4322937
CIF file Formula: - C18 H12 Cl0.5 Co1.5 N3 O8 -
Comments: María Hernández-Molina; Francesc Lloret; Catalina Ruiz-Pérez; Miguel Julve Weak Ferromagnetism in Chiral 3-Dimensional Oxalato-Bridged Cobalt(II) Compounds. Crystal Structure of [Co(bpy)3][Co2(ox)3]ClO4 Inorganic Chemistry 37 (1998) 4131-4135
Space group: P 41 3 2
Cell volume: 3572.5
Cell parameters: 15.287; 15.287; 15.287; 90; 90; 90;  

COD ID: 4327692
CIF file Formula: - C42 H81 Fe N6 Sn3 -
Comments: Tianyan Niu; Jian Lu; Xiqu Wang; James D. Korp; Allan J. Jacobson Syntheses and Structural Characterizations of Two Three-Dimensional Polymers: [{(n-C4H9)3Sn}3M(CN)6] (M = Fe, Co) Inorganic Chemistry 37 (1998) 5324-5328
Space group: P 41 3 2
Cell volume: 5211.7
Cell parameters: 17.3378; 17.3378; 17.3378; 90; 90; 90;  

COD ID: 4335732
CIF file Formula: - Co2.61 Zn2.39 -
Comments: Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure Inorganic Chemistry 52 (2013) 9399-9408
Space group: P 41 3 2
Cell volume: 252.68
Cell parameters: 6.322; 6.322; 6.322; 90; 90; 90;  

COD ID: 4335733
CIF file Formula: - Co2.5 Zn2.5 -
Comments: Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure Inorganic Chemistry 52 (2013) 9399-9408
Space group: P 41 3 2
Cell volume: 254.33
Cell parameters: 6.3358; 6.3358; 6.3358; 90; 90; 90;  

COD ID: 4335734
CIF file Formula: - Co2.42 Zn2.58 -
Comments: Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure Inorganic Chemistry 52 (2013) 9399-9408
Space group: P 41 3 2
Cell volume: 255.44
Cell parameters: 6.345; 6.345; 6.345; 90; 90; 90;  

COD ID: 4335735
CIF file Formula: - Co2.37 Zn2.63 -
Comments: Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure Inorganic Chemistry 52 (2013) 9399-9408
Space group: P 41 3 2
Cell volume: 256.71
Cell parameters: 6.3555; 6.3555; 6.3555; 90; 90; 90;  

COD ID: 4340936
CIF file Formula: - C36 H24 Co Mn2 N6 O14 -
Comments: Habjanič, Jelena; Jurić, Marijana; Popović, Jasminka; Molčanov, Krešimir; Pajić, Damir A 3D oxalate-based network as a precursor for the CoMn₂O₄ spinel: synthesis and structural and magnetic studies. Inorganic chemistry 53(18) (2014) 9633-9643
Space group: P 41 3 2
Cell volume: 3846.65
Cell parameters: 15.6685; 15.6685; 15.6685; 90; 90; 90;  

COD ID: 4342311
CIF file Formula: - C102 H99 Co8.5 N24 O13 -
Comments: Wang, Hai-Hua; Jia, Li-Na; Hou, Lei; Shi, Wen-Juan; Zhu, Zhonghua; Wang, Yao-Yu A New Porous MOF with Two Uncommon Metal-Carboxylate-Pyrazolate Clusters and High CO2/N2 Selectivity. Inorganic chemistry 54(4) (2015) 1841-1846
Space group: P 41 3 2
Cell volume: 38905.1
Cell parameters: 33.8846; 33.8846; 33.8846; 90; 90; 90;  

COD ID: 4345080
CIF file Formula: - Al0.425 Au3.575 Na2 -
Comments: Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride. Inorganic chemistry 56(4) (2017) 1919-1931
Space group: P 41 3 2
Cell volume: 466.42
Cell parameters: 7.7552; 7.7552; 7.7552; 90; 90; 90;  

COD ID: 4345081
CIF file Formula: - Al1.54 Au2.46 Na2 -
Comments: Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride. Inorganic chemistry 56(4) (2017) 1919-1931
Space group: P 41 3 2
Cell volume: 458.9
Cell parameters: 7.7133; 7.7133; 7.7133; 90; 90; 90;  

COD ID: 4350098
CIF file Formula: - C36 H24 Cu Fe2 N6 O13 -
Comments: Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton Inorganic Chemistry Frontiers 6(11) (2019) 3327
Space group: P 41 3 2
Cell volume: 3638.76
Cell parameters: 15.381; 15.381; 15.381; 90; 90; 90;  

COD ID: 4350100
CIF file Formula: - C36 H24 Cu Fe2 N6 O12 -
Comments: Kanižaj, Lidija; Androš Dubraja, Lidija; Torić, Filip; Pajić, Damir; Molčanov, Krešimir; Wenger, Emmanuel; Jurić, Marijana Dimensionality controlled by light exposure: 1D versus 3D oxalate-bridged [CuFe] coordination polymers based on an [Fe(C2O4)3]3− metallotecton Inorganic Chemistry Frontiers 6(11) (2019) 3327
Space group: P 41 3 2
Cell volume: 3637
Cell parameters: 15.379; 15.379; 15.379; 90; 90; 90;  

COD ID: 4500734
CIF file Formula: - C9 H3 Co2 N12 O6 -
Comments: Li, Mei-Na; Du, Dong-Ying; Yang, Guang-Sheng; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Qin, Jun-Sheng; Su, Zhong-Min 3D Chiral Microporous (10,3)-a Topology Metal‒Organic Framework Containing Large Helical Channels Crystal Growth & Design 11(6) (2011) 2510
Space group: P 41 3 2
Cell volume: 6476.5
Cell parameters: 18.64; 18.64; 18.64; 90; 90; 90;  

COD ID: 4501301
CIF file Formula: - C13 H13.67 Cd1.33 Cl0.67 N5 O2.67 -
Comments: Lama, Prem; Bharadwaj, Parimal K. Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties Crystal Growth & Design 11(12) (2011) 5434
Space group: P 41 3 2
Cell volume: 4491
Cell parameters: 16.499; 16.499; 16.499; 90; 90; 90;  

COD ID: 4501302
CIF file Formula: - C13 H13.67 Br0.67 Cd1.33 N5 O2.67 -
Comments: Lama, Prem; Bharadwaj, Parimal K. Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties Crystal Growth & Design 11(12) (2011) 5434
Space group: P 41 3 2
Cell volume: 4603.3
Cell parameters: 16.635; 16.635; 16.635; 90; 90; 90;  

COD ID: 4501303
CIF file Formula: - C13 H13.67 Cd1.33 I0.67 N5 O2.67 -
Comments: Lama, Prem; Bharadwaj, Parimal K. Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties Crystal Growth & Design 11(12) (2011) 5434
Space group: P 41 3 2
Cell volume: 4586
Cell parameters: 16.614; 16.614; 16.614; 90; 90; 90;  

COD ID: 4504383
CIF file Formula: - C88 H68 Ag3 F18 O2 Sb3 Se8 -
Comments: Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D. Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets Crystal Growth & Design 7(12) (2007) 2542
Space group: P 41 3 2
Cell volume: 31977.6
Cell parameters: 31.7406; 31.7406; 31.7406; 90; 90; 90;  

COD ID: 4512660
CIF file Formula: - C30 H30 Cl2 Cu2 N12 O8 -
Comments: Ferguson, Jayne L.; Fitchett, Christopher M. N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket Crystal Growth & Design 15(3) (2015) 1280
Space group: P 41 3 2
Cell volume: 3505.9
Cell parameters: 15.1915; 15.1915; 15.1915; 90; 90; 90;  

COD ID: 4512663
CIF file Formula: - C30 H29 B2 Cu2 F9 N12 -
Comments: Ferguson, Jayne L.; Fitchett, Christopher M. N,N′-Dimethylene-2,2′-biimidazole—A Mimic of Carboxylate for the Formation of Complexes with Copper(I) And the Anion Directed Formation of a Solvent Pocket Crystal Growth & Design 15(3) (2015) 1280
Space group: P 41 3 2
Cell volume: 3432.63
Cell parameters: 15.0849; 15.0849; 15.0849; 90; 90; 90;  

COD ID: 6000257
CIF file Formula: - Mo3 N Ni2 -
Comments: Weil, K. S.; Kumta, P. N.; Grins, J. Revisiting a Rare Intermetallic Ternary Nitride, Ni2Mo3N: Crystal Structure and Property Measurements Journal of Solid State Chemistry 146(1) (1999) 22-35
Space group: P 41 3 2
Cell volume: 291.962
Cell parameters: 6.634; 6.634; 6.634; 90; 90; 90;  

COD ID: 6000298
CIF file Formula: - K3 La2 N9 O27 -
Comments: Gobichon, A. E.; Auffredic, J. P.; Louer, D. Potassium lanthanum nitrate system: Phase equilibria and thermal and structural properties Journal of Solid State Chemistry 144 (1999) 68-80
Space group: P 41 3 2
Cell volume: 2549.29
Cell parameters: 13.6607; 13.6607; 13.6607; 90; 90; 90;  

COD ID: 6000444
CIF file Formula: - Mo3 N Ni2 -
Comments: Alconchel, S.; Sapina, F.; Beltran, D.; Beltran, A. Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; m = Ni, n = 2) Journal of Materials Chemistry 8 (1998) 1901-1909
Space group: P 41 3 2
Cell volume: 291.99
Cell parameters: 6.6342; 6.6342; 6.6342; 90; 90; 90;  

COD ID: 7001873
CIF file Formula: - C66 H159 Cl5 N10 O38 -
Comments: Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K. Halide binding in laterally non-symmetric aza-oxa cryptands through N/O/C‒H⋯halide interactions with characterization of small water clusters Dalton Transactions (issue 33) (2009) 6496-6506
Space group: P 41 3 2
Cell volume: 9904
Cell parameters: 21.475; 21.475; 21.475; 90; 90; 90;  

COD ID: 7034021
CIF file Formula: - C40 H122 Cl7 Dy6 N8 Na O87 -
Comments: Zheng, Xiu-Ying; Zhang, Han; Cao, Ling-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun Chirality detection of two enantiomorphic 3D lanthanide coordination polymers by vibrational circular dichroism spectra. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5299-5302
Space group: P 41 3 2
Cell volume: 44705
Cell parameters: 35.491; 35.491; 35.491; 90; 90; 90;  

COD ID: 7104637
CIF file Formula: - C30 H54 Co5 O27 -
Comments: Livage, Carine; Guillou, Nathalie; Rabu, Pierre; Pattison, Philip; Marrot, Jérôme; Férey, Gérard Bulk homochirality of a 3-D inorganic framework: ligand control of inorganic network chirality. Chemical communications (Cambridge, England) 34(30) (2009) 4551-4553
Space group: P 41 3 2
Cell volume: 4679.92
Cell parameters: 16.7268; 16.7268; 16.7268; 90; 90; 90;  

COD ID: 7104638
CIF file Formula: - C30 H52 Co5 O26 -
Comments: Livage, Carine; Guillou, Nathalie; Rabu, Pierre; Pattison, Philip; Marrot, Jérôme; Férey, Gérard Bulk homochirality of a 3-D inorganic framework: ligand control of inorganic network chirality. Chemical communications (Cambridge, England) 34(30) (2009) 4551-4553
Space group: P 41 3 2
Cell volume: 4585.05
Cell parameters: 16.613; 16.613; 16.613; 90; 90; 90;  

COD ID: 7104640
CIF file Formula: - C30 H54 Ni5 O27 -
Comments: Livage, Carine; Guillou, Nathalie; Rabu, Pierre; Pattison, Philip; Marrot, Jérôme; Férey, Gérard Bulk homochirality of a 3-D inorganic framework: ligand control of inorganic network chirality. Chemical communications (Cambridge, England) 34(30) (2009) 4551-4553
Space group: P 41 3 2
Cell volume: 4520.53
Cell parameters: 16.5347; 16.5347; 16.5347; 90; 90; 90;  

COD ID: 7105699
CIF file Formula: - C24 H42 Cd2 Cl N12 Na3 O18 -
Comments: Qilong Zhu; Tianlu Sheng; Ruibiao Fu; Chunhong Tan; Shengmin Hu; Xintao Wu Two luminescent enantiomorphic 3D metal-organic frameworks with 3D homochiral double helices Chem.Commun. 46 (2010) 9001
Space group: P 41 3 2
Cell volume: 3952
Cell parameters: 15.8103; 15.8103; 15.8103; 90; 90; 90;  

COD ID: 7117211
CIF file Formula: - C60 H42 Cl2 N12 O5 Ru -
Comments: E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex Chem.Commun. 51 (2015) 9261
Space group: P 41 3 2
Cell volume: 9409.7
Cell parameters: 21.1118; 21.1118; 21.1118; 90; 90; 90;  

COD ID: 7125363
CIF file Formula: - C96 H92 F12 N8 O28 S4 -
Comments: Kawano, Shin-Ichiro; Kawada, Sae; Kitagawa, Yasutaka; Teramoto, Rena; Nakano, Masayoshi; Tanaka, Kentaro Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation. Chemical communications (Cambridge, England) 55(20) (2019) 2992-2995
Space group: P 41 3 2
Cell volume: 38164
Cell parameters: 33.668; 33.668; 33.668; 90; 90; 90;  

COD ID: 7205516
CIF file Formula: - C66 H72 Ag2 F12 N12 P2 -
Comments: Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D. Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands CrystEngComm 13(5) (2011) 1432
Space group: P 41 3 2
Cell volume: 7872.4
Cell parameters: 19.8931; 19.8931; 19.8931; 90; 90; 90;  

COD ID: 7221215
CIF file Formula: - Al6 Ca Te10 -
Comments: Klee, W.E.; Schaefer, H. Zur Darstellung und Kristallstruktur von Ca Al6 Te10 und Ca Ga6 Te10 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 657-661
Space group: P 41 3 2
Cell volume: 1086.37
Cell parameters: 10.28; 10.28; 10.28; 90; 90; 90;  

COD ID: 7221282
CIF file Formula: - Mo3 N Pd2 -
Comments: El-Himri, A.; Sapina, F.; Ibanez, R.; Beltran, A. Pd2 Mo3 N : a new molybdenum bimetallic interstitial nitride Journal of Materials Chemistry 11 (2001) 2311-2314
Space group: P 41 3 2
Cell volume: 316.894
Cell parameters: 6.8177; 6.8177; 6.8177; 90; 90; 90;  

COD ID: 7221991
CIF file Formula: - C162 H98 O58 Zn9 -
Comments: Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas CrystEngComm 17(43) (2015) 8221
Space group: P 41 3 2
Cell volume: 17600.1
Cell parameters: 26.0119; 26.0119; 26.0119; 90; 90; 90;  

COD ID: 7222184
CIF file Formula: - Na4 O8 Sn3 -
Comments: Iwasaki, M.; Takizawa, H.; Endo, T.; Uheda, K. Synthesis and crystal structure of Na4 Sn3 O8 Journal of Materials Chemistry 12 (2002) 1068-1070
Space group: P 41 3 2
Cell volume: 774
Cell parameters: 9.1815; 9.1815; 9.1815; 90; 90; 90;  

COD ID: 7239557
CIF file Formula: - C36 H24 N6 O12 Ru Zn2 -
Comments: Kent, Caleb A.; Liu, Demin; Ito, Akitaka; Zhang, Teng; Brennaman, M. Kyle; Meyer, Thomas J.; Lin, Wenbin Rapid energy transfer in non-porous metal‒organic frameworks with caged Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching Journal of Materials Chemistry A 1(47) (2013) 14982
Space group: P 41 3 2
Cell volume: 3571.3
Cell parameters: 15.2853; 15.2853; 15.2853; 90; 90; 90;  

COD ID: 8100505
CIF file Formula: - Ba5.4 Eu0.6 Ge25 -
Comments: Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Paschen, Silke; Grin, Yuri Crystal structure of barium europium germanide, Ba~6-x~Eu~x~Ge~25~ (x = 0.6), a chiral clathrate Zeitschrift für Kristallographie - New Crystal Structures 218(4) (2003) 397-398
Space group: P 41 3 2
Cell volume: 3065.75
Cell parameters: 14.5271; 14.5271; 14.5271; 90; 90; 90;  

COD ID: 8100977
CIF file Formula: - Ba4 Ge25 Na2 -
Comments: Carrillo-Cabrera, Wilder; Curda, Jan; Peters, Karl; Paschen, Silke; Grin, Yuri; von Schnering, Hans Georg Crystal structure of the chiral clathrate, Na~2~Ba~4~Ge~25~ Zeitschrift für Kristallographie - New Crystal Structures 216(2) (2001) 183-184
Space group: P 41 3 2
Cell volume: 3029.93
Cell parameters: 14.4703; 14.4703; 14.4703; 90; 90; 90;  

COD ID: 8103608
CIF file Formula: - Ba6 Ge25 -
Comments: Carrillo-Cabrera, W.; Curda, J.; von Schnering, H.G.; Paschen, S.; Grin', Yu. Crystal structure of hexabarium pentacosagermanide, Ba6 Ge25 Zeitschrift fuer Kristallographie - New Crystal Structures 215 (2000) 207-208
Space group: P 41 3 2
Cell volume: 3084.34
Cell parameters: 14.5564; 14.5564; 14.5564; 90; 90; 90;  

COD ID: 9004528
CIF file Formula: - Ca0.3 Cl0.92 Cu2.79 O18 Pb2.7 Sb0.21 Te6 -
Comments: Lam, A. E.; Groat, L. A.; Grice, J. D.; Ercit, T. S. The crystal structure of choloalite The Canadian Mineralogist 37 (1999) 721-729
Space group: P 41 3 2
Cell volume: 1962.52
Cell parameters: 12.52; 12.52; 12.52; 90; 90; 90;  

COD ID: 9006317
CIF file Formula: - Fe2 O3 -
Comments: Pecharroman, C.; Gonzalez-Carreno T; Iglesias, J. E. The infrared dielectric properties of maghemite, gamma-Fe2O3, from reflectance measurement on pressed powders Sample: b) idealized Physics and Chemistry of Minerals 22 (1995) 21-29
Space group: P 41 3 2
Cell volume: 578.01
Cell parameters: 8.33; 8.33; 8.33; 90; 90; 90;  

COD ID: 9011197
CIF file Formula: - Mn -
Comments: Shoemaker, C. B.; Shoemaker, D. P.; Hopkins, T. E.; Yindepit, S. Refinement of the structure of beta-manganese and of related phase in the Mn-Ni-Si system Acta Crystallographica, Section B 34 (1978) 3573-3576
Space group: P 41 3 2
Cell volume: 251.837
Cell parameters: 6.315; 6.315; 6.315; 90; 90; 90;  

COD ID: 9012873
CIF file Formula: - Ag3 Au S2 -
Comments: Messien, P.; Baiwir, M.; Tavernier, B. Structure cristalline du sulfure mixte d'argent et d'or Bulletin de la Societe Royal des Sciences de Liege 35 (1966) 727-733
Space group: P 41 3 2
Cell volume: 918.33
Cell parameters: 9.72; 9.72; 9.72; 90; 90; 90;  


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