Crystallography Open Database

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Searching space group like 'P 1 2/m 1'

COD ID: 1001173
CIF file Formula: - O22 P2 Rb0.45 W6 -
Comments: Giroult, J P; Goreaud, M; Labbe, P; Raveau, B Bronzes with a Tunnel Structure Rb~x~ P~8~ W~8n~ O~24n+16~. II. The Third Term of the Series: Rb~x~ P~8~ W~24~ O~88~ Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1163-1166
Space group: P 1 2/m 1
Cell volume: 411.3
Cell parameters: 13.991; 3.765; 8.561; 90; 114.22; 90;  

COD ID: 1001678
CIF file Formula: - O49 W18 -
Comments: Lamire, M; Labbe, P; Goreaud, M; Raveau, B Refinement et nouvelle analyse de la structure de W18 O49 Revue de Chimie Minerale 24 (1987) 369-381
Space group: P 1 2/m 1
Cell volume: 879.5
Cell parameters: 18.31819; 3.7828; 14.028; 90; 115.211; 90;  

COD ID: 1008266
CIF file Formula: - D1.69 Fe0.9 Mn0.1 Ti -
Comments: Fruchart, D; Commandre, M; Sauvage, D; Rouault, A; Tellgren, R Structural and activation process studies of Fe-Ti-like hydride compounds Journal of the Less-Common Metals 74 (1980) 55-63
Space group: P 1 2/m 1
Cell volume: 62.6
Cell parameters: 4.714; 2.837; 4.714; 90; 97.14; 90;  

COD ID: 1010770
CIF file Formula: - Bi4 Pb2 S5 Se3 -
Comments: Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series 44 (1940) 47-69
Space group: P 1 2/m 1
Cell volume: 1273
Cell parameters: 18.03; 4.04; 17.53; 90; 94.48; 90;  

COD ID: 1010790
CIF file Formula: - H10 Mg O8 -
Comments: Fenoglio, M; Millosevich, F Ricerche sui carbonati naturali neutri e basici di magnesio idrati. Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945) 24 (1936) 219-222
Space group: P 1 2/m 1
Cell volume: 676.9
Cell parameters: 12.48; 7.55; 7.34; 90; 78.18; 90;  

COD ID: 1509477
CIF file Formula: - Ag Nb0.5 O3 Ta0.5 -
Comments: Suvorov, D.; Valant, M. New high-permittivity Ag Nb1-x Tax O3 microwave ceramics: Part I: crystal structures and phase-decomposition relations Journal of the American Ceramic Society 82 (1999) 81-87
Space group: P 1 2/m 1
Cell volume: 60.614
Cell parameters: 3.9286; 3.9259; 3.9302; 90; 90.49; 90;  

COD ID: 1510327
CIF file Formula: - Au Zr -
Comments: Valmalette, J.C.; Moreau, J.M.; Ait Chaou, A.; Soubeyroux, J.L.; Galez, P.; Lomello-Tafin, M.; Isa, M.; Jourdan, J. Neutron powder diffraction study of the crystal structures of Zr Au Journal of Alloys Compd. 373 (2004) 16-27
Space group: P 1 2/m 1
Cell volume: 632.478
Cell parameters: 11.695; 4.828; 11.719; 90; 107.09; 90;  

COD ID: 1511154
CIF file Formula: - B Fe2.04 Mg0.735 O5 Sn0.225 -
Comments: Simonov, M.A.; Yamnova, N.A.; Belov, N.V. The distribution of the cations Sn, Fe3+, Fe2+, Mg in the crystal structure of Hulsite Doklady Akademii Nauk SSSR 238 (1978) 1094-1097
Space group: P 1 2/m 1
Cell volume: 179.074
Cell parameters: 10.681; 3.094; 5.433; 90; 94.15; 90;  

COD ID: 1511157
CIF file Formula: - B Fe3 O5 -
Comments: Yamnova, N.A.; Simonov, M.A.; Belov, N.V. Crystal structure of Fe-Mg borate Hulsite ((Fe2+), Mg, (Fe3+), Sn)3 B O3 O2 Kristallografiya 20 (1975) 156-159
Space group: P 1 2/m 1
Cell volume: 179.074
Cell parameters: 10.681; 3.094; 5.433; 90; 94.15; 90;  

COD ID: 1511514
CIF file Formula: - B4 Ru5 Sc2 -
Comments: Rogl, P. The crystal structure of Sc2 Ru5 B4 Journal of Solid State Chemistry 55 (1984) 262-269
Space group: P 1 2/m 1
Cell volume: 254.16
Cell parameters: 8.4859; 3.0001; 9.9833; 90; 90.01; 90;  

COD ID: 1519407
CIF file Formula: - C154 H96 N14 O32 Ti7 -
Comments: Yuan, Shuai; Liu, Tian-Fu; Feng, Dawei; Tian, Jian; Wang, Kecheng; Qin, Junsheng; Zhang, Qiang; Chen, Ying-Pin; Bosch, Mathieu; Zou, Lanfang; Teat, Simon J.; Dalgarno, Scott J.; Zhou, Hong-Cai A single crystalline porphyrinic titanium metal‒organic framework Chem. Sci. 6(7) (2015) 3926
Space group: P 1 2/m 1
Cell volume: 7360.7
Cell parameters: 17.6073; 17.0188; 25.0871; 90; 101.722; 90;  

COD ID: 1521124
CIF file Formula: - O2 V -
Comments: Galy, J.; Miehe, G. Ab initio structures of (M2) and (M3) V O2 Solid State Sciences 1 (1999) 433-448
Space group: P 1 2/m 1
Cell volume: 60.282
Cell parameters: 4.506; 2.899; 4.617; 90; 91.79; 90;  

COD ID: 1522392
CIF file Formula: - Li2.74 Pd5.26 -
Comments: Loebich, O.; Wopersnow, W. Zur Struktur der intermetallischen Verbindung Li Pd2 Journal of the Less-Common Metals 63 (1979) P83-P88
Space group: P 1 2/m 1
Cell volume: 110.599
Cell parameters: 5.371; 2.725; 7.558; 90; 91.09; 90;  

COD ID: 1522784
CIF file Formula: - Nb3.375 Rh5.625 -
Comments: Ritter, D.L.; Giessen, B.C.; Grant, N.J. The niobium(columbium)-rhodium binary system. II. Crystal structure relationships Transactions of the Metallurgical Society of Aime 230 (1964) 1259-1267
Space group: P 1 2/m 1
Cell volume: 271.141
Cell parameters: 20.25; 2.806; 4.772; 90; 90.53; 90;  

COD ID: 1523424
CIF file Formula: - Se4 Ti Zr -
Comments: Cybulski, Z. A. Ternary and quaternary selenide compounds M^I^TiZrSe~4~ (M^I^ = Li, Ag) Materials Science Forum 91-93 (1992) 159-164
Space group: P 1 2/m 1
Cell volume: 138.762
Cell parameters: 6.1; 3.669; 6.2; 90; 90; 90;  

COD ID: 1525210
CIF file Formula: - D1.73 Fe Ti -
Comments: Schefer, J.; Schlapbach, L.; Fischer, P.; Haelg, W.; Stucki, F.; Andresen, A.F. Structural phase transitions of Fe Ti - deuterides Materials Research Bulletin 14 (1979) 1281-1294
Space group: P 1 2/m 1
Cell volume: 62.201
Cell parameters: 4.706; 2.8347; 4.697; 90; 96.93; 90;  

COD ID: 1526890
CIF file Formula: - Fe6 Ga1.75 Ge4.25 Tb -
Comments: Venturini, G. Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 < x < 3.5) Journal of Alloys Compd. 329 (2001) 8-21
Space group: P 1 2/m 1
Cell volume: 4618.96
Cell parameters: 30.9; 8.266; 18.32; 90; 99.21; 90;  

COD ID: 1527053
CIF file Formula: - O14.75 Pb3.5 V4.51 -
Comments: Zyryanov, V.V.; Lapina, O.B. Mechanochemical synthesis and structure of new phases in the Pb - V- O system Neorganicheskie Materialy 37 (2001) 331-337
Space group: P 1 2/m 1
Cell volume: 359.588
Cell parameters: 5.97; 6.27; 9.95; 90; 105.1; 90;  

COD ID: 1527670
CIF file Formula: - B Fe2.13 Mg0.64 O5 Sn0.2 -
Comments: Konnert, J.A.; Appleman, D.E.; Clark, J.R.; Finger, L.W.; Kato, T.; Miura, Y. Crystal structure and cation distribution of Hulsite, a tin-iron borate American Mineralogist 61 (1976) 116-122
Space group: P 1 2/m 1
Cell volume: 179.725
Cell parameters: 10.695; 3.102; 5.432; 90; 94.21; 90;  

COD ID: 1527873
CIF file Formula: - Dy N3 S3 -
Comments: Niinisto, L.; Larsson, L.O. On the structure of beta-Dy (N H4)3 (S O3)3 H2 O Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 2250-2252
Space group: P 1 2/m 1
Cell volume: 297.459
Cell parameters: 8.88; 3.98; 9.48; 90; 117.4; 90;  

COD ID: 1528166
CIF file Formula: - O49 W18 -
Comments: Viswanathan, K.; Brandt, K.; Salje, E. Crystal structure and charge carrier concentration of W18 O49 Journal of Solid State Chemistry 36 (1981) 45-51
Space group: P 1 2/m 1
Cell volume: 882.052
Cell parameters: 18.334; 3.786; 14.044; 90; 115.2; 90;  

COD ID: 1528669
CIF file Formula: - Li5.68 O100 Ta38.864 -
Comments: Grey, I.E.; Mumme, W.G.; Roth, R.S. The crystal chemistry of L-Ta2 O5 and related structures Journal of Solid State Chemistry 178 (2005) 3308-3314
Space group: P 1 2/m 1
Cell volume: 1675.52
Cell parameters: 6.1939; 69.549; 3.8895; 90; 90; 90;  

COD ID: 1528712
CIF file Formula: - Ga3.39 In0.61 O10 Sn1.87 Ti0.135 -
Comments: Maier, C.R.; Edwards, D.D.; Charoenwongsa, M. Formation and structural refinements of tunneled intergrowth phases in the Ga2 O3 - In2 O3 - Sn O2 - Ti O2 system Journal of Solid State Chemistry 181 (2008) 2755-2762
Space group: P 1 2/m 1
Cell volume: 381.148
Cell parameters: 11.5934; 3.12529; 10.6549; 90; 99.146; 90;  

COD ID: 1528812
CIF file Formula: - Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -
Comments: Rastsvetaeva, R.K.; Chukanov, N.V.; Rozenberg, K.A. Crystal structure of Jinshajiangite from the Norra Kaerr complex (Sweden) Kristallografiya 53 (2008) 593-596
Space group: P 1 2/m 1
Cell volume: 774.748
Cell parameters: 5.35; 6.909; 20.96; 90; 90; 90;  

COD ID: 1530441
CIF file Formula: - Cl6 K2 Pu -
Comments: Morss, L.R.; Fujino, T. Preparation and crystal structures of plutonium(IV) hexachloro complexes, Rb2 Pu Cl6 and K2 Pu Cl6 Journal of Solid State Chemistry 72 (1988) 338-352
Space group: P 1 2/m 1
Cell volume: 560.573
Cell parameters: 7.218; 7.611; 10.208; 90; 91.59; 90;  

COD ID: 1530515
CIF file Formula: - Ba3 S8 Ta2 -
Comments: Onoda, M.; Saeki, M. New Barium Tantalum Sulphides Part 2. Ba3 Ta2 S8 Materials Research Bulletin 24 (1989) 625-631
Space group: P 1 2/m 1
Cell volume: 977.377
Cell parameters: 12.6156; 6.8501; 11.9571; 90; 108.938; 90;  

COD ID: 1530873
CIF file Formula: - D1.93 Fe Ti -
Comments: Thompson, P.; Reilly, J.J.; Reidinger, F.; Hastings, J.M.; Corliss, L.M. Neutron diffraction study of gamma iron titanium deuteride Journal of Physics F 9 (1979) 61-66
Space group: P 1 2/m 1
Cell volume: 62.171
Cell parameters: 4.7044; 2.8301; 4.7044; 90; 96.97; 90;  

COD ID: 1531146
CIF file Formula: - C5 H8 Fe N6 O5 Sr -
Comments: Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L. Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K Journal of Chemical Crystallography 31(11-12) (2001) 491-500
Space group: P 1 2/m 1
Cell volume: 1234.51
Cell parameters: 19.765; 7.54; 8.384; 90; 98.87; 90;  

COD ID: 1531987
CIF file Formula: - Ca0.15 H8 K0.01 Mg0.45 Mn6 Na0.42 O16 -
Comments: Post, J.E.; Heaney, P.J.; Hanson, J. Synchrotron X-ray diffraction study of the structure and dehydration behavior of todorokite American Mineralogist 88 (2003) 142-150
Space group: P 1 2/m 1
Cell volume: 265.468
Cell parameters: 9.769; 2.8512; 9.56; 90; 94.47; 90;  

COD ID: 1532796
CIF file Formula: - Fe3 O4 -
Comments: Wright, J.P.; Attfield, J.P.; Radaelli, P.G. Charge ordered structure of magnetite Fe3 O4 below the Verwey transition Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 214422-1-214422-15
Space group: P 1 2/m 1
Cell volume: 295.398
Cell parameters: 5.94441; 5.92472; 8.38754; 90; 90.2365; 90;  

COD ID: 1534558
CIF file Formula: - Cu5 Na25 O26 S5 -
Comments: Amann, P.; Moeller, A. Reactivity, syntheses and crystal structures of Na5 (M O2) (X) with M = Co(+), Ni(+), Cu(+); X = (C O3)(2-), (S O4)(2-), (S O3)(2-), S(2-) and Na25 (Cu O2)5 (S O4)4 (S) Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 1643-1650
Space group: P 1 2/m 1
Cell volume: 934.036
Cell parameters: 9.7734; 4.7325; 20.678; 90; 102.418; 90;  

COD ID: 1535071
CIF file Formula: - C3 B2 Br3 Ce6 -
Comments: Mattausch, H.J.; Simon, A. Rare earth metal boride carbide bromides. A system of building blocks Angewandte Chemie (Edition international) 34 (1995) 1633-1635
Space group: P 1 2/m 1
Cell volume: 310.926
Cell parameters: 8.602; 3.829; 10.22; 90; 112.53; 90;  

COD ID: 1536068
CIF file Formula: - Ag Cl H6 N2 O4 -
Comments: Nockemann, P.; Meyer, G. (Ag (N H3)2) Cl O4: Kristallstrukturen, Phasenumwandlung, Schwingungsspektren Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1636-1640
Space group: P 1 2/m 1
Cell volume: 610.573
Cell parameters: 7.899; 6.041; 12.904; 90; 97.436; 90;  

COD ID: 1536300
CIF file Formula: - Cs0.918333 In3 S5 -
Comments: Deiseroth, H.J.; Reiner, C.; Schlosser, M.; Kienle, L. M In3 S5 (M = Rb, Cs), a new structure type based on a joint ccp arrangement of S(2-) and M(+); structure, microstructure, and twinning Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1641-1647
Space group: P 1 2/m 1
Cell volume: 679.215
Cell parameters: 12.465; 3.7909; 15.5017; 90; 111.991; 90;  

COD ID: 1536304
CIF file Formula: - In2.98 Rb0.88 S5 -
Comments: Deiseroth, H.J.; Reiner, C.; Schlosser, M.; Kienle, L. M In3 S5 (M = Rb, Cs), a new structure type based on a joint ccp arrangement of S(2-) and M(+); structure, microstructure, and twinning Zeitschrift fuer Anorganische und Allgemeine Chemie 628 (2002) 1641-1647
Space group: P 1 2/m 1
Cell volume: 662.795
Cell parameters: 12.3718; 3.77; 15.3763; 90; 112.456; 90;  

COD ID: 1538315
CIF file Formula: - O2.72 W -
Comments: Magneli, A. Crystal structure studies on gamma-tungsten oxide Arkiv foer Kemi 1 (1949) 223-230
Space group: P 1 2/m 1
Cell volume: 883.286
Cell parameters: 18.31999; 3.79; 14.04; 90; 115.03; 90;  

COD ID: 1538317
CIF file Formula: - O2.9 W -
Comments: Magneli, A. Crystal structure studies on beta-tungsten oxide Arkiv foer Kemi 1 (1949) 513-523
Space group: P 1 2/m 1
Cell volume: 1066.2
Cell parameters: 12.1; 3.78; 23.4; 90; 95; 90;  

COD ID: 1539373
CIF file Formula: - O47 Sm3 Ta17 -
Comments: Yamnova, N.A.; Pushcharovskii, D.Yu.; Leonyuk, L.I.; Bogdanova, A.V. Crystal structure of Sm3 Ta17 O47 Kristallografiya 33 (1988) 609-612
Space group: P 1 2/m 1
Cell volume: 915.181
Cell parameters: 12.591; 3.891; 19.161; 90; 102.86; 90;  

COD ID: 1540293
CIF file Formula: - In10 S21 Sn6 -
Comments: Likforman, A.; Guittard, M.; Robert, F. Structure du sulfure d'etain et d'indium In10 Sn6 S21 Journal of Solid State Chemistry 89 (1990) 275-281
Space group: P 1 2/m 1
Cell volume: 1642.69
Cell parameters: 15.571; 3.842; 27.583; 90; 95.44; 90;  

COD ID: 1540841
CIF file Formula: - In Se -
Comments: Watanabe, Y.; Iwasaki, H.; Kuroda, N.; Nishina, Y. A pressure-induced nonlayered structure of indium monoselenide Journal of Solid State Chemistry 43 (1982) 140-150
Space group: P 1 2/m 1
Cell volume: 208.548
Cell parameters: 11.02; 4.11; 4.61; 90; 87.2; 90;  

COD ID: 1544552
CIF file Formula: - Al O4 P -
Comments: Pellicer-Porres, J.; Saitta, A.M.; Polian, A.; Itie, J.P.; Hanfland, M. Six-fold-coordinated phosphours by oxygen in AlPO4 quartz homeotype under high pressure :Sample at 97.5 GPa Nature Materials 6 (2007) 698-702
Space group: P 1 2/m 1
Cell volume: 38.78
Cell parameters: 3.838; 2.506; 4.036; 90; 87.4; 90;  

COD ID: 1550212
CIF file Formula: - C69.5 H32 N2 O36 Zr6 -
Comments: Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization Chemical Science (2019)
Space group: P 1 2/m 1
Cell volume: 4218.3
Cell parameters: 19.6381; 12.631; 19.6354; 90; 119.994; 90;  

COD ID: 1556381
CIF file Formula: - C3 H5 Au Cl4 N2 -
Comments: de Almeida, M. Peixoto; Martins, L. M. D. R. S.; Carabineiro, S. A. C.; Lauterbach, T.; Rominger, F.; Hashmi, A. S. K.; Pombeiro, A. J. L.; Figueiredo, J. L. Homogeneous and heterogenised new gold C-scorpionate complexes as catalysts for cyclohexane oxidation Catalysis Science & Technology 3(11) (2013) 3056
Space group: P 1 2/m 1
Cell volume: 224.61
Cell parameters: 3.8864; 7.7824; 7.5103; 90; 98.573; 90;  

COD ID: 2002479
CIF file Formula: - B2 Ni5.33 O10 Sb0.67 -
Comments: Bluhm, K; Mueller-Buschbaum, Hk; Walz, L Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10 Journal of the Less-Common Metals 158 (1990) 339-345
Space group: P 1 2/m 1
Cell volume: 172.2
Cell parameters: 5.376; 3.031; 10.603; 90; 94.47; 90;  

COD ID: 2002480
CIF file Formula: - B2 Ni5.33 O10 Sb0.67 -
Comments: Bluhm, K; Mueller-Buschbaum, Hk; Walz, L Eine synthetische Variante des Hulstit-Typs: Ni5.33 Sb0.67 B2 O10 Journal of the Less-Common Metals 158 (1990) 339-345
Space group: P 1 2/m 1
Cell volume: 170.4
Cell parameters: 5.355; 3.021; 10.563; 90; 94.49; 90;  

COD ID: 2005574
CIF file

Original IUCr paper

Formula: - C6 H8 O2 -
Comments: Pinkerton, A. A.; le Drian, C.; Vogel, P. Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K Acta Crystallographica Section C 52(11) (1996) 2927-2929
Space group: P 1 2/m 1
Cell volume: 528.17
Cell parameters: 9.634; 6.5478; 8.474; 90; 98.86; 90;  

COD ID: 2005933
CIF file

Original IUCr paper

Formula: - C17 H19 Co N6 O2 S2 -
Comments: Beddoes, R. L.; Dinsmore, A.; Helliwell, M.; Garner, C. D.; Joule, J. A. A Pteridin-6-yl Alkene-1,2-dithiolate Complex of Cobalt Acta Crystallographica Section C 53(2) (1997) 213-215
Space group: P 1 2/m 1
Cell volume: 2126.1
Cell parameters: 21.334; 6.985; 17.1; 90; 123.45; 90;  

COD ID: 2012637
CIF file

HKL data

Original IUCr paper

Formula: - Ba14 Cu2 In4 N7 -
Comments: Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters Acta Crystallographica Section C 58(4) (2002) i50-i52
Space group: P 1 2/m 1
Cell volume: 1579.6
Cell parameters: 9.3225; 8.0089; 21.651; 90; 102.263; 90;  

COD ID: 2013721
CIF file

Original IUCr paper

Formula: - C10 H16 Mg O14 -
Comments: Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~] Acta Crystallographica Section C 59(12) (2003) m505-m508
Space group: P 1 2/m 1
Cell volume: 374.5
Cell parameters: 6.447; 9.942; 6.455; 90; 115.148; 90;  

COD ID: 2018174
CIF file

HKL data

Original IUCr paper

Formula: - C14 H19 F2 O2.5 -
Comments: Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu (4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate Acta Crystallographica Section C 67(8) (2011) o294-o296
Space group: P 1 2/m 1
Cell volume: 1371.2
Cell parameters: 10.812; 11.942; 10.868; 90; 102.274; 90;  

COD ID: 2020273
CIF file Formula: - In11 S22 Sn8 -
Comments: Likforman, A.; Jaulmes, S.; Guittard, M. Structure du sulfure d'indium et d'etain In11 Sn5,5 S22 Acta Crystallographica C (39,1983-) 44 (1988) 1339-1342
Space group: P 1 2/m 1
Cell volume: 872.55
Cell parameters: 14.627; 3.847; 15.636; 90; 97.38; 90;  

COD ID: 2102017
CIF file

Original IUCr paper

Formula: - Ce0.33333 Nb O3 -
Comments: Bridges, C.; Greedan, J. E.; Barbier, J. Structure of the defect perovskite Ce~1/3~NbO~3~: a redetermination by electron and neutron powder diffraction Acta Crystallographica Section B 56(2) (2000) 183-188
Space group: P 1 2/m 1
Cell volume: 240.664
Cell parameters: 5.5267; 7.8824; 5.5245; 90; 90.294; 90;  

COD ID: 2103035
CIF file

Original IUCr paper

Formula: - Cl H13 Mg3 O9 -
Comments: Sugimoto, Kunihisa; E. Dinnebier, Robert; Schlecht, Thomas Structure determination of Mg~3~(OH)~5~Cl·4H~2~O (F5 phase) from laboratory powder diffraction data and its impact on the analysis of problematic magnesia floors Acta Crystallographica Section B 63(6) (2007) 805-811
Space group: P 1 2/m 1
Cell volume: 230.44
Cell parameters: 9.6412; 3.1506; 8.3035; 90; 113.986; 90;  

COD ID: 2107065
CIF file Formula: - O47 W17 -
Comments: Dobson, M.M.; Tilley, R.J.D. A new pseudo-binary tungsten oxide, W17 O47 Acta Crystallographica B (39,1983-) 44 (1988) 474-480
Space group: P 1 2/m 1
Cell volume: 858.288
Cell parameters: 18.84; 3.787; 12.33; 90; 102.67; 90;  

COD ID: 2107337
CIF file Formula: - Nb2 O5 -
Comments: Kato, K. Structure refinement of h-Nb2 O5 Acta Crystallographica B (24,1968-38,1982) 32 (1976) 764-767
Space group: P 1 2/m 1
Cell volume: 1358.4
Cell parameters: 21.153; 3.8233; 19.356; 90; 119.8; 90;  

COD ID: 2206190
CIF file

HKL data

Original IUCr paper

Formula: - C4 H16 Cl F12 N4 P2 Pt -
Comments: Matsushita, Nobuyuki Redetermination of <i>catena</i>-poly[[[bis(ethylenediamine)platinum(II)]-μ-chloro-[bis(ethylenediamine)platinum(IV)]-μ-chloro] tetrakis(hexafluorophosphate)] Acta Crystallographica Section E 61(7) (2005) m1301-m1303
Space group: P 1 2/m 1
Cell volume: 398.5
Cell parameters: 8.193; 5.518; 9.233; 90; 107.33; 90;  

COD ID: 2210972
CIF file

HKL data

Original IUCr paper

Formula: - C9 H9 N3 O4 -
Comments: Xu, Jun Methyl [(4-nitrophenyl)hydrazono]acetate Acta Crystallographica Section E 62(11) (2006) o5317-o5318
Space group: P 1 2/m 1
Cell volume: 1105
Cell parameters: 6.164; 6.402; 28.1; 90; 95.03; 90;  

COD ID: 2311079
CIF file Formula: - W10 -
Comments: Magneli, A. Structures of the Re O3 - type with Reccurent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides Acta Crystallographica (1,1948-23,1967) 6 (1953) 495-500
Space group: P 1 2/m 1
Cell volume: 1067.17
Cell parameters: 12.05; 3.767; 23.59; 90; 85.28; 90;  

COD ID: 2311788
CIF file Formula: - F18 K36 O108 Sc18 Si36 -
Comments: Hejny, C.; Bindi, L. Low-temperature behaviour of K<sub>2</sub>Sc[Si<sub>2</sub>O<sub>6</sub>]F: determination of the lock-in phase and its relationships with fresnoite- and melilite-type compounds. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 923-930
Space group: P 1 2/m 1
Cell volume: 5923.9
Cell parameters: 26.785; 8.2451; 26.824; 90; 90; 90;  

COD ID: 4000528
CIF file Formula: - Cu8 Sb11.5 Se27 Tl11.5 -
Comments: Chemistry of Materials (2005)
Space group: P 1 2/m 1
Cell volume: 1468
Cell parameters: 14.268; 4.1374; 24.942; 90; 94.422; 90;  

COD ID: 4001040
CIF file Formula: - Eu Ga2 P2 -
Comments: Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As) Chemistry of Materials 21(19) (2009) 4480
Space group: P 1 2/m 1
Cell volume: 434.82
Cell parameters: 9.2822; 3.8967; 12.0777; 90; 95.522; 90;  

COD ID: 4001041
CIF file Formula: - As2 Eu Ga2 -
Comments: Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As) Chemistry of Materials 21(19) (2009) 4480
Space group: P 1 2/m 1
Cell volume: 473.3
Cell parameters: 9.4953; 4.0294; 12.4237; 90; 95.304; 90;  

COD ID: 4001683
CIF file Formula: - Ge O8 Si3 -
Comments: Yu, Zheng-Bao; Han, Yu; Zhao, Lan; Huang, Shiliang; Zheng, Qi-Yu; Lin, Shuangzheng; Córdova, Armando; Zou, Xiaodong; Sun, Junliang Intergrown New Zeolite Beta Polymorphs with Interconnected 12-Ring Channels Solved by Combining Electron Crystallography and Single-Crystal X-ray Diffraction Chemistry of Materials 24(19) (2012) 3701
Space group: P 1 2/m 1
Cell volume: 2156.4
Cell parameters: 12.59; 12.852; 13.984; 90; 107.63; 90;  

COD ID: 4003954
CIF file Formula: - As7 Ge4.93 Li1.07 -
Comments: Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations Chemistry of Materials 33(12) (2021) 4586-4595
Space group: P 1 2/m 1
Cell volume: 577.81
Cell parameters: 10.0496; 3.7429; 15.3975; 90; 93.929; 90;  

COD ID: 4069696
CIF file Formula: - C82 H92 F6 N4 O14 Ru4 S2 -
Comments: Mattsson, Johan; Govindaswamy, Padavattan; Renfrew, Anna K.; Dyson, Paul J.; Štěpnička, Petr; Süss-Fink, Georg; Therrien, Bruno Synthesis, Molecular Structure, and Anticancer Activity of Cationic Arene Ruthenium Metallarectangles Organometallics 28(15) (2009) 4350
Space group: P 1 2/m 1
Cell volume: 2956.1
Cell parameters: 15.2127; 9.9525; 20.6506; 90; 109.011; 90;  

COD ID: 4101826
CIF file Formula: - C22 H12 Br N2 O4 Zn -
Comments: Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block Journal of the American Chemical Society 132 (2010) 950-952
Space group: P 1 2/m 1
Cell volume: 2933.1
Cell parameters: 11.711; 15.6181; 16.0362; 90; 90.205; 90;  

COD ID: 4101828
CIF file Formula: - C23 H14 Br N3 O4 Zn -
Comments: Omar K. Farha; Christos D. Malliakas; Mercouri G. Kanatzidis; Joseph T. Hupp Control over Catenation in Metal-Organic Frameworks via Rational Design of the Organic Building Block Journal of the American Chemical Society 132 (2010) 950-952
Space group: P 1 2/m 1
Cell volume: 3296
Cell parameters: 11.6151; 15.648; 18.163; 90; 93.202; 90;  

COD ID: 4105916
CIF file Formula: - C51 H34 Br2 N2 O8 Si Zn2 -
Comments: Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios Journal of the American Chemical Society 133 (2011) 5228-5231
Space group: P 1 2/m 1
Cell volume: 2774.84
Cell parameters: 10.4988; 16.2306; 16.2841; 90; 90.008; 90;  

COD ID: 4105917
CIF file Formula: - C16.5 H10.5 Br0.5 N2 O3.5 Zn0.5 -
Comments: Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios Journal of the American Chemical Society 133 (2011) 5228-5231
Space group: P 1 2/m 1
Cell volume: 2809.3
Cell parameters: 11.106; 15.916; 16.224; 90; 101.594; 90;  

COD ID: 4105918
CIF file Formula: - C48 H27 N2 O8 Zn2 -
Comments: Chang Yeon Lee; Youn-Sang Bae; Nak Cheon Jeong; Omar K. Farha; Amy A. Sarjeant; Charlotte L. Stern; Peter Nickias; Randall Q. Snurr; Joseph T. Hupp; SonBinh T. Nguyen Kinetic Separation of Propene and Propane in Metal-Organic Frameworks: Controlling Diffusion Rates in Plate-Shaped Crystals via Tuning of Pore Apertures and Crystallite Aspect Ratios Journal of the American Chemical Society 133 (2011) 5228-5231
Space group: P 1 2/m 1
Cell volume: 2837.4
Cell parameters: 11.2539; 15.772; 16.175; 90; 98.771; 90;  

COD ID: 4106921
CIF file Formula: - C189 H107 B3 Br6 F6 N12 O24 Zn6 -
Comments: Chang Yeon Lee; Omar K. Farha; Bong Jin Hong; Amy A. Sarjeant; SonBinh T. Nguyen; Joseph T. Hupp Light-Harvesting Metal-Organic Frameworks (MOFs): Efficient Strut-to-Strut Energy Transfer in Bodipy and Porphyrin-Based MOFs Journal of the American Chemical Society 133 (2011) 15858-15861
Space group: P 1 2/m 1
Cell volume: 11594.1
Cell parameters: 19.3751; 22.2846; 26.8917; 90; 93.087; 90;  

COD ID: 4115788
CIF file Formula: - C20 H28 Cr2 Cu3 N16 O2 -
Comments: Hui-Zhong Kou; Song Gao; Jing Zhang; Ge-Hui Wen; Gang Su; R. K. Zheng; X. X. Zhang Unexpected Assembly of a Unique Cyano-Bridged Three-Dimensional Cu3Cr2 Ferromagnet Journal of the American Chemical Society 123 (2001) 11809-11810
Space group: P 1 2/m 1
Cell volume: 779.89
Cell parameters: 7.1843; 7.521; 14.4763; 90; 94.401; 90;  

COD ID: 4119024
CIF file Formula: - C50 H50 O16 Zn2 -
Comments: Kyriakos C. Stylianou; Jeremy Rabone; Samantha Y. Chong; Romain Heck; Jayne Armstrong; Paul V. Wiper; Kim E. Jelfs; Sergey Zlatogorsky; John Bacsa; Alec G. McLennan; Christopher P. Ireland; Yaroslav Z. Khimyak; K. Mark Thomas; Darren Bradshaw; Matthew J. Rosseinsky Dimensionality Transformation through Paddlewheel Reconfiguration in a Flexible and Porous Zn-Based Metal-Organic Framework Journal of the American Chemical Society 134 (2012) 20466-20478
Space group: P 1 2/m 1
Cell volume: 1168.3
Cell parameters: 6.8131; 15.782; 11.155; 90; 103.078; 90;  

COD ID: 4125673
CIF file Formula: - C160 H136 F2 N4 O38 Tb6 -
Comments: Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society 139(8) (2017) 3265-3274
Space group: P 1 2/m 1
Cell volume: 6307.1
Cell parameters: 19.985; 17.414; 20.09; 90; 115.567; 90;  

COD ID: 4125674
CIF file Formula: - C160 H136 F2 N4 O38 Y6 -
Comments: Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net. Journal of the American Chemical Society 139(8) (2017) 3265-3274
Space group: P 1 2/m 1
Cell volume: 5899.4
Cell parameters: 18.998; 17.5118; 19.567; 90; 115.009; 90;  

COD ID: 4128655
CIF file Formula: - C88.5 H45.2 O36 Zr6 -
Comments: Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K. Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks. Journal of the American Chemical Society 141(31) (2019) 12229-12235
Space group: P 1 2/m 1
Cell volume: 4977.2
Cell parameters: 21.6317; 12.2815; 21.6273; 90; 119.975; 90;  

COD ID: 4128656
CIF file Formula: - C220 H112 O36 Zr6 -
Comments: Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K. Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks. Journal of the American Chemical Society 141(31) (2019) 12229-12235
Space group: P 1 2/m 1
Cell volume: 17140
Cell parameters: 31.678; 19.591; 31.774; 90; 119.631; 90;  

COD ID: 4128657
CIF file Formula: - C198 H114 O36 Zr6 -
Comments: Chen, Zhijie; Li, Penghao; Wang, Xingjie; Otake, Ken-Ichi; Zhang, Xuan; Robison, Lee; Atilgan, Ahmet; Islamoglu, Timur; Hall, Morgan G.; Peterson, Gregory W.; Stoddart, J. Fraser; Farha, Omar K. Ligand-Directed Reticular Synthesis of Catalytically Active Missing Zirconium-Based Metal-Organic Frameworks. Journal of the American Chemical Society 141(31) (2019) 12229-12235
Space group: P 1 2/m 1
Cell volume: 11482
Cell parameters: 28.13; 16.7348; 28.174; 90; 120.036; 90;  

COD ID: 4129206
CIF file Formula: - C32 H80 Ag Bi Br8 N4 -
Comments: Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides. Journal of the American Chemical Society (2019)
Space group: P 1 2/m 1
Cell volume: 1390.2
Cell parameters: 8.2024; 8.1797; 21.1217; 90; 101.195; 90;  

COD ID: 4134236
CIF file Formula: - C4.091 H377.543 Br3.463 O31.68 Zr5.94 -
Comments: Lyu, Jiafei; Gong, Xinyi; Lee, Seung-Joon; Gnanasekaran, Karthikeyan; Zhang, Xuan; Wasson, Megan C.; Wang, Xingjie; Bai, Peng; Guo, Xianghai; Gianneschi, Nathan C.; Farha, Omar K. Phase Transitions in Metal-Organic Frameworks Directly Monitored through In Situ Variable Temperature Liquid-Cell Transmission Electron Microscopy and In Situ X-ray Diffraction. Journal of the American Chemical Society (2020)
Space group: P 1 2/m 1
Cell volume: 4286.88
Cell parameters: 20.808475; 11.960014; 19.896179; 90; 120.03; 90;  

COD ID: 4320259
CIF file Formula: - C8 H21 Au Cl4 O6 -
Comments: Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers Inorganic Chemistry 40 (2001) 4978-4985
Space group: P 1 2/m 1
Cell volume: 840.07
Cell parameters: 8.2616; 12.2727; 8.2855; 90; 90.295; 90;  

COD ID: 4320263
CIF file Formula: - C12 H27 Au Cl4 O7 -
Comments: Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers Inorganic Chemistry 40 (2001) 4978-4985
Space group: P 1 2/m 1
Cell volume: 3232.7
Cell parameters: 13.4509; 12.0398; 20.275; 90; 100.084; 90;  

COD ID: 4321775
CIF file Formula: - C6 H22 B10 Si2 -
Comments: Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane Inorganic Chemistry 38 (1999) 486-489
Space group: P 1 2/m 1
Cell volume: 387.6
Cell parameters: 6.92; 8.797; 7.053; 90; 115.49; 90;  

COD ID: 4331769
CIF file Formula: - Fe1.48 In10.02 Pb5.5 S22 -
Comments: Matsushita, Yoshitaka; Ueda, Yutaka Crystal Structure and Physical Properties of Fe1.5Pb5.5In10S22 Inorganic Chemistry 45(5) (2006) 2022-2026
Space group: P 1 2/m 1
Cell volume: 866.99
Cell parameters: 14.558; 3.8556; 15.558; 90; 96.876; 90;  

COD ID: 4334646
CIF file Formula: - B7 K15 O72 U18 -
Comments: Shijun Wu; Shuao Wang; Matthew Polinski; Oliver Beermann; Philip Kegler; Thomas Malcherek; Astrid Holzheid; Wulf Depmeier; Dirk Bosbach; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions Inorganic Chemistry 52 (2013) 5110-5118
Space group: P 1 2/m 1
Cell volume: 1951.3
Cell parameters: 13.438; 6.85; 22.238; 90; 107.586; 90;  

COD ID: 4343869
CIF file Formula: - C4 H4 Au2 Co N4 O2 -
Comments: Lefebvre, J.; Tyagi, P.; Trudel, S.; Leznoff, D.B.; Pacradouni, V.; Sonier, J.E.; Kaiser, C. Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies Inorganic Chemistry 48 (2009) 55-67
Space group: P 1 2/m 1
Cell volume: 447.139
Cell parameters: 6.4; 20.61; 3.39; 90; 90.48; 90;  

COD ID: 4343870
CIF file Formula: - C4 H4 Au2 Fe N4 O2 -
Comments: Lefebvre, J.; Tyagi, P.; Leznoff, D.B.; Trudel, S.; Kaiser, C.; Pacradouni, V.; Sonier, J.E. Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies Inorganic Chemistry 48 (2009) 55-67
Space group: P 1 2/m 1
Cell volume: 461.159
Cell parameters: 6.43; 20.67; 3.47; 90; 90.68; 90;  

COD ID: 4343871
CIF file Formula: - C4 H4 Au2 Mn N4 O2 -
Comments: Lefebvre, J.; Sonier, J.E.; Trudel, S.; Tyagi, P.; Kaiser, C.; Pacradouni, V.; Leznoff, D.B. Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double aqua-bridged chains: SQUID and mueSR studies Inorganic Chemistry 48 (2009) 55-67
Space group: P 1 2/m 1
Cell volume: 471.383
Cell parameters: 6.5; 20.78; 3.49; 90; 90.4; 90;  

COD ID: 4344921
CIF file Formula: - C74 H38 Cd4 N9 O18 -
Comments: Pal, Tapan K.; Chatterjee, Nabanita; Bharadwaj, Parimal K. Linker-Induced Structural Diversity and Photophysical Property of MOFs for Selective and Sensitive Detection of Nitroaromatics Inorganic Chemistry 55(4) (2016) 1741
Space group: P 1 2/m 1
Cell volume: 5837
Cell parameters: 12.2; 26.58; 18.62; 90; 104.82; 90;  

COD ID: 4349115
CIF file Formula: - C8 H3 F Fe N6 O0.5 Pt -
Comments: Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry 55(20) (2016) 10654-10665
Space group: P 1 2/m 1
Cell volume: 403.5
Cell parameters: 7.2782; 7.5613; 7.482; 90; 101.494; 90;  

COD ID: 4350316
CIF file Formula: - C2 H9 F O9.25 P2 V1.5 -
Comments: Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J; Zubieta, Jon Evolution of the structural chemistry of vanadium organodiphosphonate networks and frameworks: structural consequences of fluoride incorporation in the development of stable phases with void channels. Inorganic chemistry 45(19) (2006) 7628-7641
Space group: P 1 2/m 1
Cell volume: 1057.61
Cell parameters: 7.1564; 18.2265; 8.1397; 90; 95.038; 90;  

COD ID: 4512226
CIF file Formula: - C47 H24 Br2 N2 O8 Zn2 -
Comments: Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T. Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification Crystal Growth & Design 14(12) (2014) 6320
Space group: P 1 2/m 1
Cell volume: 2875.7
Cell parameters: 11.27; 15.803; 16.274; 90; 97.169; 90;  

COD ID: 4513162
CIF file Formula: - C34 H51 Cu2 N13 O8 -
Comments: Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L. New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers Crystal Growth & Design 15(5) (2015) 2437
Space group: P 1 2/m 1
Cell volume: 1223.68
Cell parameters: 11.0071; 7.6667; 14.9346; 90; 103.846; 90;  

COD ID: 4513493
CIF file Formula: - C6 H8 F5 N21 Zn4 -
Comments: Pimenta, Vanessa; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Jouffret, Laurent; Martel, Arnaud; Dujardin, Gilles; Maisonneuve, Vincent Evidence of New Fluorinated Coordination Compounds in the Composition Space Diagram of FeF3/ZnF2‒Hamtetraz-HFaqSystem Crystal Growth & Design 15(9) (2015) 4248
Space group: P 1 2/m 1
Cell volume: 550.13
Cell parameters: 6.5576; 9.715; 8.6358; 90; 90.579; 90;  

COD ID: 4518209
CIF file Formula: - C24 H18 Hg I4 N4 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 2/m 1
Cell volume: 1538.8
Cell parameters: 8.991; 19.04; 9.004; 90; 93.322; 90;  

COD ID: 5910092
CIF file Formula: - Al Li O10 Si4 -
Comments: Wyckoff, R. W. G. Page 325 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://database.iem.ac.ru/mincryst/ The second edition of Structure of Crystals (1931) 325-325
Space group: P 1 2/m 1
Cell volume: 615.569
Cell parameters: 11.77; 5.13; 15.17; 112.44; 112.44; 112.44;  

COD ID: 7014103
CIF file Formula: - C20 H250 Mo20 Na30 O230 P20 -
Comments: du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies. Dalton transactions (Cambridge, England : 2003) (issue 8) (2004) 1259-1263
Space group: P 1 2/m 1
Cell volume: 11249.1
Cell parameters: 22.5992; 21.8196; 22.8168; 90; 91.08; 90;  

COD ID: 7017079
CIF file Formula: - C23 H18 Mn Mo N7 O3 -
Comments: Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Price, David J.; Kepert, Cameron J. A new modification of an old framework: Hofmann layers with unusual tetracyanidometallate groups. Dalton transactions (Cambridge, England : 2003) 40(43) (2011) 11621-11628
Space group: P 1 2/m 1
Cell volume: 1320.21
Cell parameters: 12.2987; 7.6559; 14.6269; 90; 106.545; 90;  

COD ID: 7017531
CIF file Formula: - C35 H25 N O23 V4 -
Comments: Djerdj, Igor; Škapin, Srečo D; Ceh, Miran; Jagličić, Zvonko; Pajić, Damir; Kozlevčar, Bojan; Orel, Bojan; Orel, Zorica Crnjak Interplay between the structural and magnetic probes in the elucidation of the structure of a novel 2D layered [V4O4(OH)2(O2CC6H4CO2)4]·DMF. Dalton transactions (Cambridge, England : 2003) 41(2) (2012) 581-589
Space group: P 1 2/m 1
Cell volume: 2120
Cell parameters: 20.923; 5.963; 20.425; 90; 123.701; 90;  

COD ID: 7034477
CIF file Formula: - C8 H23 F7 Fe5 N21.5 O3 -
Comments: Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies. Dalton transactions (Cambridge, England : 2003) 44(17) (2015) 7951-7959
Space group: P 1 2/m 1
Cell volume: 689.63
Cell parameters: 6.6118; 12.4325; 8.8075; 90; 107.723; 90;  

COD ID: 7034478
CIF file Formula: - C6 H20 F8 Fe5 N21 O2 -
Comments: Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies. Dalton transactions (Cambridge, England : 2003) 44(17) (2015) 7951-7959
Space group: P 1 2/m 1
Cell volume: 690.99
Cell parameters: 6.6687; 12.245; 9.0305; 90; 110.439; 90;  

COD ID: 7056615
CIF file Formula: - C12 H10.4 Fe N8 O1.2 Pt -
Comments: Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem. (2017)
Space group: P 1 2/m 1
Cell volume: 402.008
Cell parameters: 7.2727; 7.4681; 7.4416; 90; 95.939; 90;  

COD ID: 7056616
CIF file Formula: - C12 H10.4 Fe N8 O1.2 Pd -
Comments: Polyzou, Christina D.; Lalioti, Nikolia; Psycharis, Vassilis; Tangoulis, Vassilis Guest Induced Hysteretic Tristability in 3D Pillared Hofmann-type Microporous Metal-Organic Framework New J. Chem. (2017)
Space group: P 1 2/m 1
Cell volume: 402.4
Cell parameters: 7.28; 7.47; 7.4387; 90; 95.88; 90;  

COD ID: 7114172
CIF file Formula: - C6 H20 Co Fe N4 O12 -
Comments: Jiang, Jianfeng; Koch, Stephen A. Two-dimensional materials based on trans-[FeII(CN)4(CO)2]2??? building blocks; first structural evidence for a hydrated metal carbonyl ligation Chemical Communications (issue 16) (2002) 1724
Space group: P 1 2/m 1
Cell volume: 474.5
Cell parameters: 6.971; 7.467; 9.267; 90; 100.377; 90;  

COD ID: 7119176
CIF file Formula: - Mn1.5 N O13 V4 -
Comments: Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard Vacancy-induced manganese vanadates and their potential application to Li-ion batteries Chem.Commun. 52 (2016) 7509
Space group: P 1 2/m 1
Cell volume: 267.234
Cell parameters: 8.2011; 3.5207; 9.9129; 90; 110.987; 90;  

COD ID: 7123110
CIF file Formula: - C24 H14 O22 S4 Zn4 -
Comments: Wu, Xiao-Qin; Liu, Yan; Feng, Pei-qi; Wei, Xuehong; Qiu, Xiao-Hang; Ma, Jian-Gong Design of the Zn-MOF Biosensor via a Ligand “Lock” for the Recognition and Distinction of S-containing Amino Acids Chemical Communications (2019)
Space group: P 1 2/m 1
Cell volume: 3448.5
Cell parameters: 14.3588; 15.763; 15.6688; 90; 103.497; 90;  

COD ID: 7206025
CIF file Formula: - C9 H5.5 N1.5 O2 Zn0.5 -
Comments: Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework CrystEngComm 13(12) (2011) 3971
Space group: P 1 2/m 1
Cell volume: 1563
Cell parameters: 10.07; 11.383; 13.936; 90; 101.955; 90;  

COD ID: 7209468
CIF file Formula: - B Mn2 O5 Sr -
Comments: Utzolino, A.; Bluhm, K. Neue Einsichten zur Stabilisierung des Hulsit-Strukturtyps am Beispiel von Mn(II)2 Mn(III) (B O3) O2 und Mn(II) Sr Mn(III) (B O3) O2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 1433-1438
Space group: P 1 2/m 1
Cell volume: 186.286
Cell parameters: 11.075; 3.1104; 5.4293; 90; 95.1; 90;  

COD ID: 7221163
CIF file Formula: - Li Sn -
Comments: Mueller, W.; Schaefer, H. Die Kristallstruktur der Phase Li Sn Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 28 (1973) 246-248
Space group: P 1 2/m 1
Cell volume: 123.197
Cell parameters: 5.17; 3.18; 7.74; 90; 104.5; 90;  

COD ID: 7234570
CIF file Formula: - C10 H8 Cu2 O11 -
Comments: Zhang, Jun; Ma, Xiaofan; Kong, Weili; Lu, Guodong; Xuan, Xiaopeng Cooperative proton transportation based on the reversible single crystal‒single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation CrystEngComm (2019)
Space group: P 1 2/m 1
Cell volume: 924.7
Cell parameters: 7.8682; 10.5629; 11.607; 90; 106.552; 90;  

COD ID: 7237163
CIF file Formula: - C96 H48 Cl2 Cu4.5 N40 O0.5 -
Comments: Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal Journal of Materials Chemistry A 6(36) (2018) 17698
Space group: P 1 2/m 1
Cell volume: 6031.7
Cell parameters: 16.9552; 19.4089; 18.5986; 90; 99.771; 90;  

COD ID: 7239987
CIF file Formula: - C6 H4 Br2 Co N2 -
Comments: Heine, Miriam; Fink, Lothar; Schmidt, Martin U. 4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes CrystEngComm (2020)
Space group: P 1 2/m 1
Cell volume: 451.24
Cell parameters: 12.4692; 3.76053; 9.62324; 90; 89.87; 90;  

COD ID: 7240451
CIF file Formula: - H13 N9 O10 Pd Ru -
Comments: Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation CrystEngComm (2020)
Space group: P 1 2/m 1
Cell volume: 735.5
Cell parameters: 7.851; 7.792; 12.456; 90; 105.148; 90;  

COD ID: 7241021
CIF file Formula: - C52 H32 Au2 Co N8 S10 -
Comments: Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes CrystEngComm (2020)
Space group: P 1 2/m 1
Cell volume: 2011.12
Cell parameters: 9.6303; 12.2272; 17.1845; 90; 96.342; 90;  

COD ID: 7704815
CIF file Formula: - C32 H16 Ag N4 O10 Ru2 -
Comments: Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C. Synthesis of atomically precise single-crystalline Ru<sub>2</sub>-based coordination polymers. Dalton transactions (Cambridge, England : 2003) 49(45) (2020) 16077-16081
Space group: P 1 2/m 1
Cell volume: 3942
Cell parameters: 12.455; 19.023; 16.766; 90; 97.049; 90;  

COD ID: 7707587
CIF file Formula: - C50 H42 Br2 Cu6 N2 O34 Ru12 -
Comments: Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>. Dalton transactions (Cambridge, England : 2003) 50(27) (2021) 9610-9622
Space group: P 1 2/m 1
Cell volume: 4374.2
Cell parameters: 13.7124; 19.7578; 17.3324; 90; 111.328; 90;  

COD ID: 7707645
CIF file Formula: - As2 Ba In2 -
Comments: Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates. Dalton transactions (Cambridge, England : 2003) 50(26) (2021) 9173-9184
Space group: P 1 2/m 1
Cell volume: 586.29
Cell parameters: 10.2746; 4.3005; 13.3317; 90; 95.569; 90;  

COD ID: 7711843
CIF file Formula: - C10 H16 Co O14 -
Comments: Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction. Dalton transactions (Cambridge, England : 2003) (2022)
Space group: P 1 2/m 1
Cell volume: 371.02
Cell parameters: 6.3747; 9.9302; 6.4394; 90; 114.467; 90;  

COD ID: 7711844
CIF file Formula: - C10 H16 Co O14 -
Comments: Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction. Dalton transactions (Cambridge, England : 2003) (2022)
Space group: P 1 2/m 1
Cell volume: 380.18
Cell parameters: 6.4912; 9.9169; 6.538; 90; 115.401; 90;  

COD ID: 7711845
CIF file Formula: - C10 H16 Co O14 -
Comments: Shao, Dong; Zhou, Yue; Yang, Xiaodong; Yue, Jing; Ming, Shujun; Wei, Xiao-Qin; Tian, Zhengfang Supramolecular encapsulation of hexaaquacobalt(II) cations in a hydrogen-bonded framework for slow magnetic relaxation and high proton conduction. Dalton transactions (Cambridge, England : 2003) (2022)
Space group: P 1 2/m 1
Cell volume: 385.9
Cell parameters: 6.523; 9.909; 6.641; 90; 115.98; 90;  

COD ID: 8103424
CIF file Formula: - Au Cd -
Comments: Alasafi, K.M.; Schubert, K. Crystal structure of Au1.1 Cd.9 (r) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 148 (1978) 179-191
Space group: P 1 2/m 1
Cell volume: 108.762
Cell parameters: 7.438; 3.097; 4.899; 90; 105.47; 90;  

COD ID: 8107665
CIF file Formula: - Co H4 O14 V4.4 -
Comments: Wu-Hua, Chen; Ran, Chen; Jin-Xiao, Mi; Hua-Feng, Wang; Jia-Yu, Song The crystal structure of a cobalt-vanadium-oxido hydrate Zeitschrift für Kristallographie - New Crystal Structures 238(6) (2023) 1079-1080
Space group: P 1 2/m 1
Cell volume: 258.55
Cell parameters: 8.1091; 3.5128; 9.759; 90; 111.553; 90;  

COD ID: 9000271
CIF file Formula: - Mg2 O4 Si -
Comments: Baur, W. H. Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 polymorphs of low and high density Model I American Mineralogist 57 (1972) 709-731
Space group: P 1 2/m 1
Cell volume: 274.173
Cell parameters: 10.11; 5.77; 4.7; 90; 90; 90;  

COD ID: 9000486
CIF file Formula: - B2 Fe2.63 Mg1.12 O10 Sn0.2 -
Comments: Konnert, J. A.; Appleman, D. E.; Clark, J. R.; Finger, L. W.; Kato, T.; Miura, Y. Crystal structure and cation distribution of hulsite, a tin-iron borate American Mineralogist 61 (1976) 116-122
Space group: P 1 2/m 1
Cell volume: 179.727
Cell parameters: 10.695; 3.102; 5.432; 90; 94.2; 90;  

COD ID: 9001165
CIF file Formula: - H3.16 Mn6 O15.16 -
Comments: Post, J. E.; Bish, D. L. Rietveld refinement of the todorokite structure Sample: South Africa Ka American Mineralogist 73 (1988) 861-869
Space group: P 1 2/m 1
Cell volume: 264.331
Cell parameters: 9.764; 2.8416; 9.551; 90; 94.06; 90;  

COD ID: 9001166
CIF file Formula: - H4.16 Mn6 O16.16 -
Comments: Post, J. E.; Bish, D. L. Rietveld refinement of the todorokite structure Sample: South Africa Kb American Mineralogist 73 (1988) 861-869
Space group: P 1 2/m 1
Cell volume: 264.846
Cell parameters: 9.763; 2.8454; 9.559; 90; 94.16; 90;  

COD ID: 9001167
CIF file Formula: - Mn O2 -
Comments: Post, J. E.; Bish, D. L. Rietveld refinement of the todorokite structure Sample: Cuba American Mineralogist 73 (1988) 861-869
Space group: P 1 2/m 1
Cell volume: 264.412
Cell parameters: 9.789; 2.834; 9.551; 90; 93.7; 90;  

COD ID: 9002866
CIF file Formula: - H8.16 Mg0.47 Mn6 O16.9 -
Comments: Post, J. E.; Heaney, P. J.; Hanson, J. C. Synchrotron X-ray diffraction study of the structure and dehydration behavior of todorokite American Mineralogist 88 (2003) 142-150
Space group: P 1 2/m 1
Cell volume: 265.468
Cell parameters: 9.769; 2.8512; 9.56; 90; 94.47; 90;  

COD ID: 9003557
CIF file Formula: - Ag Au Te2 -
Comments: Bindi, L.; Cipriani, C. Ordered distribution of Au and Ag in the crystal structure of muthmannite, AuAgTe2, a rare telluride from Sacarimb, Western Romania American Mineralogist 89 (2004) 1505-1509
Space group: P 1 2/m 1
Cell volume: 168.396
Cell parameters: 5.124; 4.419; 7.437; 90; 89.96; 90;  

COD ID: 9005640
CIF file Formula: - Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -
Comments: Pertsev N N; Schreyer W; Armbruster T; Bernhardt H J; Medenbach O Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia European Journal of Mineralogy 16 (2004) 151-161
Space group: P 1 2/m 1
Cell volume: 169.614
Cell parameters: 5.3444; 3.03; 10.506; 90; 94.46; 90;  

COD ID: 9008074
CIF file Formula: - Al26 Mg O40 -
Comments: Jagodzinski, H. Die bestimmung einer bei der entmischung Al2O3-ubersattigter Mg-Al-Spinelle auftretenden zwischenstruktur Zeitschrift fur Kristallographie 109 (1957) 388-409
Space group: P 1 2/m 1
Cell volume: 624.16
Cell parameters: 9.31; 5.64; 12.1; 90; 100.77; 90;  

COD ID: 9012682
CIF file Formula: - Ba1.44 Ca0.76 F2 Fe6 H8 K0.8 Mg0.5 Mn1.5 Na Nb0.2 O38 Si8 Ti3.6 Zr0.2 -
Comments: Rastsvetaeva, R. K.; Chukanov, N. V.; Rozenberg, K. A crystal structure of jinshajiangite from the Norra Karr complex (Sweden) Crystallography Reports 53 (2008) 553-556
Space group: P 1 2/m 1
Cell volume: 763.373
Cell parameters: 5.35; 6.909; 20.96; 90; 99.83; 90;  


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