Crystallography Open Database

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Searching space group like 'P 3'

COD ID: 1000429
CIF file Formula: - Ba0.83 Ca2.1 In6 O12 -
Comments: Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-) 52 (1996) 780-789
Space group: P 3
Cell volume: 272.4
Cell parameters: 9.888; 9.888; 3.217; 90; 90; 120;  

COD ID: 1001038
CIF file Formula: - F6 Na2 U -
Comments: Cousson, A; Tabuteau, A; Pages, M; Gasperin, M Disodium uranium(IV) fluoride Acta Crystallographica B (24,1968-38,1982) 35 (1979) 1198-1200
Space group: P 3
Cell volume: 234.2
Cell parameters: 6.112; 6.112; 7.24; 90; 90; 120;  

COD ID: 1001210
CIF file Formula: - Cd Cl6 H24 Ni2 O12 -
Comments: Leclaire, A; Borel, M M Structure de l'Hexachlorure de Cadmium et de Dinckel Dodecahydrate Acta Crystallographica B (24,1968-38,1982) 38 (1982) 234-236
Space group: P 3
Cell volume: 963.8
Cell parameters: 9.9509; 9.9509; 11.2393; 90; 90; 120;  

COD ID: 1004127
CIF file Formula: - B H16 Li O10 -
Comments: Touboul, M; Betourne, E; Nowogrocki, G Crystal structure and dehydration process of Li (H2 O)4 B (O H)4 . 2(H2 O) Journal of Solid State Chemistry 115 (1995) 549-553
Space group: P 3
Cell volume: 229.6
Cell parameters: 6.5534; 6.5534; 6.174; 90; 90; 120;  

COD ID: 1010151
CIF file Formula: - Br3 Cr -
Comments: Braekken, H Die Kristallstruktur von Chromtribromid Kongelige Norske Videnskapers Selskab, Forhandlinger 5 (1932) 42-42
Space group: P 3
Cell volume: 617.7
Cell parameters: 6.26; 6.26; 18.2; 90; 90; 120;  

COD ID: 1010622
CIF file Formula: - Bi I3 -
Comments: Braekken, H Die Kristallstruktur der Trijodide von Arsen, Antimon und Wismut Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 74 (1930) 67-72
Space group: P 3
Cell volume: 1006.7
Cell parameters: 7.498; 7.498; 20.676; 90; 90; 120;  

COD ID: 1510332
CIF file Formula: - Au1.01 Cd0.99 -
Comments: Otsuka, K.; Ohba, T.; Emura, Y. Crystal structure of gamma-martensite and the mechanism of beta2 - zeta2' transformation in a Au49.5 at.% Cd alloy Materials Transactions, JIM 33 (1992) 29-37
Space group: P 3
Cell volume: 328.808
Cell parameters: 8.095; 8.095; 5.794; 90; 90; 120;  

COD ID: 1511117
CIF file Formula: - B Eu3 O9 W -
Comments: Efremov, V.A.; Chistova, V.I.; Ilyukhin, A.B.; Dzhurinskii, B.F.; Gokhman, L.Z. Synthesis and structure of boratotungstates Ln3BWO9 (Ln=La,Pr,Nd,Sm-Ho) Zhurnal Neorganicheskoi Khimii 39 (1994) 1075-1079
Space group: P 3
Cell volume: 344.907
Cell parameters: 8.58; 8.58; 5.41; 90; 90; 120;  

COD ID: 1514873
CIF file Formula: - C9 H26 N2 O12 Ti -
Comments: Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G. Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide. Nanoscale 5(8) (2013) 3330-3336
Space group: P 3
Cell volume: 1352.1
Cell parameters: 15.304; 15.304; 6.6658; 90; 90; 120;  

COD ID: 1516777
CIF file Formula: - C27 H30 O6 -
Comments: Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A. Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners. Organic letters 16(14) (2014) 3644
Space group: P 3
Cell volume: 1639.6
Cell parameters: 20.637; 20.637; 4.4453; 90; 90; 120;  

COD ID: 1521820
CIF file Formula: - Ca3.55 Ce1.3 F1.41 H0.63 La0.6 Na2 Nd0.25 O24.63 P5.8 Si0.2 Sr2.3 -
Comments: Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of deloneite-(Ce), a high-order Ca-analog of belovite Doklady Akad. Nauk 349 (1996) 354-357
Space group: P 3
Cell volume: 549.047
Cell parameters: 9.51; 9.51; 7.01; 90; 90; 120;  

COD ID: 1522872
CIF file Formula: - Al5 Mo -
Comments: Schuster, J.C.; Ipser, H. The Al - Al8 Mo3 section of the binary system aluminum- molybdenum Metallurgical Transactions A: Physical Metallurgy and Materials Science 22 (1991) 1729-1738
Space group: P 3
Cell volume: 926.847
Cell parameters: 4.933; 4.933; 43.98; 90; 90; 120;  

COD ID: 1523008
CIF file Formula: - Bi I Te -
Comments: Tomokiyo, A.; Kawano, S.; Okada, T. Phase diagram of system (Bi2 Te3)-(Bi I3) and crystal structure of Bi Te I Japanese Journal of Applied Physics 16 (1977) 291-298
Space group: P 3
Cell volume: 111.802
Cell parameters: 4.346; 4.346; 6.835; 90; 90; 120;  

COD ID: 1525782
CIF file Formula: - Rb Sb0.33 Te6 U -
Comments: Choi, K.-S.; Kanatzidis, M.G. Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6 Journal of Solid State Chemistry 161 (2001) 17-22
Space group: P 3
Cell volume: 582.015
Cell parameters: 9.0925; 9.0925; 8.129; 90; 90; 120;  

COD ID: 1526857
CIF file Formula: - Be4 N6 O19 -
Comments: Troyanov, S.I.; Tikhomirov, G.A.; Znamenkov, K.O.; Morozov, I.V. Crystal structure of beryllium nitrate complexes (N O)2 (Be (N O3)4) and Be O (N O3)6 Zhurnal Neorganicheskoi Khimii 45 (2000) 1941-1948
Space group: P 3
Cell volume: 1042.97
Cell parameters: 13.638; 13.638; 6.475; 90; 90; 120;  

COD ID: 1527995
CIF file Formula: - Ba Ge4 O9 -
Comments: Robbins, C.; Perloff, A.; Block, S. Crystal structure of Ba Ge Ge3 O9 and its relation to benitoite Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry 70 (1966) 385-391
Space group: P 3
Cell volume: 553.316
Cell parameters: 11.61; 11.61; 4.74; 90; 90; 120;  

COD ID: 1528032
CIF file Formula: - Ge Li1.08 Zn0.92 -
Comments: Schoenemann, H.; Schuster, H.U. Li1.25 Zn Ge und Li Cu0.93 As - zwei isotype Phasen Zeitschrift fuer Anorganische und Allgemeine Chemie 432 (1977) 87-94
Space group: P 3
Cell volume: 148.487
Cell parameters: 4.277; 4.277; 9.373; 90; 90; 120;  

COD ID: 1528033
CIF file Formula: - As Cu0.93 Li -
Comments: Schoenemann, H.; Schuster, H.U. Li1.25 Zn Ge und Li Cu0.93 As - zwei isotype Phasen Zeitschrift fuer Anorganische und Allgemeine Chemie 432 (1977) 87-94
Space group: P 3
Cell volume: 132.992
Cell parameters: 4.125; 4.125; 9.025; 90; 90; 120;  

COD ID: 1528813
CIF file Formula: - C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -
Comments: Rastsvetaeva, R.K.; Chukanov, N.V.; Ivanova, A.G. Crystal structure of a new ten-layer feldspathoid of the cancrinite group Kristallografiya 54 (2009) 223-230
Space group: P 3
Cell volume: 3782.16
Cell parameters: 12.847; 12.847; 26.461; 90; 90; 120;  

COD ID: 1529638
CIF file Formula: - Fe1.17 Li1.8 S2 -
Comments: Blandeau, L.; Ouvrard, G.; Rouxel, J.; Brec, R.; Calage, Y. Transition-metal dichalcogenides from disintercalation processes. Crystal structure determination and Moessbauer study of Li2 Fe S2 and its disintercalates Lix Fe S2 (0.2< x< 2) Journal of Physics C 20 (1987) 4271-4281
Space group: P 3
Cell volume: 83.048
Cell parameters: 3.908; 3.908; 6.279; 90; 90; 120;  

COD ID: 1529641
CIF file Formula: - K2 O9 Si3 Zr -
Comments: Blinov, V.A.; Shumyatskaya, N.G.; Ilyukhin, V.V.; Belov, N.V.; Voronkov, A.A. Refinement of the crystal structure of wadeite K2 Zr (Si3 O9) and its relation to kindred structural types Kristallografiya 22 (1977) 59-65
Space group: P 3
Cell volume: 422.781
Cell parameters: 6.926; 6.926; 10.177; 90; 90; 120;  

COD ID: 1530161
CIF file Formula: - H Ni2 -
Comments: Khodyrev, Yu.P.; Baranova, R.V.; Imamov, R.M.; Semiletov, S.A. Electron diffraction investigation of hexagonal nickel hydride Kristallografiya 23 (1978) 724-728
Space group: P 3
Cell volume: 26.062
Cell parameters: 2.643; 2.643; 4.308; 90; 90; 120;  

COD ID: 1530482
CIF file Formula: - Al12 O25 Sr7 -
Comments: Nevskii, N.N.; Ilyukhin, V.V.; Glasser, L.D.; Belov, N.V. The crystal structure of the simplest strontium aluminate with three-dimensional framework Doklady Akademii Nauk SSSR 241 (1978) 821-824
Space group: P 3
Cell volume: 1989
Cell parameters: 17.91; 17.91; 7.16; 90; 90; 120;  

COD ID: 1530956
CIF file Formula: - Mn O6 Sb2 -
Comments: Vincent, H.; Turrillas, X.M.; Rasines, I. A novel structure type of hexagonal closest packing: The ternary oxide, beta Mn Sb2 O6 Materials Research Bulletin 22 (1987) 1369-1379
Space group: P 3
Cell volume: 317.165
Cell parameters: 8.8056; 8.8056; 4.7232; 90; 90; 120;  

COD ID: 1531202
CIF file Formula: - O2 Si1.016 -
Comments: Bolotina, N.B.; Bendeliani, N.A.; Lityagina, L.M.; Dyuzheva, T.I. Structure investigations of single crystals of stishovite Poverkhnostnye Fizika, Khimiya, Mekhanika 2002 (2002) 20-24
Space group: P 3
Cell volume: 311.282
Cell parameters: 8.31; 8.31; 5.205; 90; 90; 120;  

COD ID: 1535552
CIF file Formula: - La Nb7 O19 -
Comments: Hofmann, R.; Gruehn, R. Zur Darstellung und Struktur neuer Niobate: LnNb7O19 (Ln = La, Ce) Zeitschrift fuer Anorganische und Allgemeine Chemie 602 (1991) 105-117
Space group: P 3
Cell volume: 679.573
Cell parameters: 6.2531; 6.2531; 20.0685; 90; 90; 120;  

COD ID: 1535859
CIF file Formula: - Cr F2 Na5 O8 P2 -
Comments: Nagornyi, P.G.; Tret'yak, S.M.; Kornienko, Z.I.; Kapshuk, A.A.; Mitkevich, V.V. Synthesis and structure of new fluorophosphate Na5Cr(PO4)2F2 Zhurnal Neorganicheskoi Khimii 35 (1990) 839-842
Space group: P 3
Cell volume: 646.003
Cell parameters: 10.576; 10.576; 6.669; 90; 90; 120;  

COD ID: 1536253
CIF file Formula: - H2 O Si2 -
Comments: Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E. Structures of siloxene and layered polysilane (Si6 H6) Physical Review, Serie 3. B - Condensed Matter (18,1978-) 48 (1993) 17872-17877
Space group: P 3
Cell volume: 74.951
Cell parameters: 3.83; 3.83; 5.9; 90; 90; 120;  

COD ID: 1536434
CIF file Formula: - Ge3 O11 Pb5 -
Comments: Kay, M.I.; Newnham, R.E.; Wolfe, R.W. The crystal structure of the ferroelectric phase of Pb5 Ge3 O11 Ferroelectrics 9 (1975) 1-6
Space group: P 3
Cell volume: 955.36
Cell parameters: 10.19; 10.19; 10.624; 90; 90; 120;  

COD ID: 1538533
CIF file Formula: - Al36 Ca15.94 Cl8 K0.96 Na31.1 O183.3 S10 Si36 -
Comments: Rozenberg, K.A.; Sapozhnikov, A.N.; Kashaev, A.A.; Rastsvetaeva, R.K.; Bolotina, N.B. Crystal structure and of a new representative of the cancrinite group with a 12-layer staking sequence of tetrahedral rings Kristallografiya 49 (2004) 714-721
Space group: P 3
Cell volume: 4539.75
Cell parameters: 12.757; 12.757; 32.211; 90; 90; 120;  

COD ID: 1539132
CIF file Formula: - Co I2 O6 -
Comments: Svensson, C.; Abrahams, S.C.; Bernstein, J.L. Crystal Structure and Pyroelectric Coefficient of Co (I O3)2 and Structural Relationships among the Anhydrous Noncentrosymmetric 3d-Transition Metal Iodates Journal of Solid State Chemistry 36 (1981) 195-204
Space group: P 3
Cell volume: 528.165
Cell parameters: 10.9597; 10.9597; 5.0774; 90; 90; 120;  

COD ID: 1540884
CIF file Formula: - In Si Te3 -
Comments: Sandre, E.; Carteaux, V.; Ouvrard, G. A new lamellar tellurosilicate In Si Te3 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 314 (1992) 1151-1156
Space group: P 3
Cell volume: 304.843
Cell parameters: 7.0411; 7.0411; 7.1001; 90; 90; 120;  

COD ID: 1547730
CIF file Formula: - C27 H24 S6 -
Comments: Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials Chem. Sci. (2017)
Space group: P 3
Cell volume: 10572
Cell parameters: 39.0759; 39.0759; 7.99482; 90; 90; 120;  

COD ID: 1548235
CIF file Formula: - H14 Mo6 N2 O24 Te -
Comments: Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda Ultrathin inorganic molecular nanowire based on polyoxometalates Nature Communications 6 (2015) 7731
Space group: P 3
Cell volume: 539
Cell parameters: 12.56; 12.56; 3.944; 90; 90; 120;  

COD ID: 1550831
CIF file Formula: - C6 H12 Fe Mg Na O18 -
Comments: Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism Chemical Science (2019)
Space group: P 3
Cell volume: 833.9
Cell parameters: 9.756; 9.756; 10.117; 90; 90; 120;  

COD ID: 1551343
CIF file Formula: - C488 H460 Cl12 N80 O88 -
Comments: Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc Designing cooperatively folded abiotic uni- and multimolecular helix bundles Nature Chemistry 10 (2018) 51-57
Space group: P 3
Cell volume: 44094
Cell parameters: 29.331; 29.331; 59.183; 90; 90; 120;  

COD ID: 1552001
CIF file Formula: - C2 H0 Na O4 S -
Comments: Jeff A. Hurd; Ramanathan Vaidhyanathan; Venkataraman Thangadurai; Christopher I. Ratcliffe; Igor L. Moudrakovski; George K. H. Shimizu Anhydrous proton conduction at 150 C in a crystalline metal-organic framework Nature Chemistry 1 (2009) 705-710
Space group: P 3
Cell volume: 312.41
Cell parameters: 9.512; 9.512; 3.987; 90; 90; 120;  

COD ID: 1553646
CIF file Formula: - C24 H27 B2 F11 Fe N6 -
Comments: Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science 8(3) (2017) 2448-2456
Space group: P 3
Cell volume: 1935.43
Cell parameters: 16.8376; 16.8376; 7.8829; 90; 90; 120;  

COD ID: 1558013
CIF file Formula: - Be4 H51 I2 N19 -
Comments: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science 11(21) (2020) 5415-5422
Space group: P 3
Cell volume: 721.55
Cell parameters: 9.7756; 9.7756; 8.7186; 90; 90; 120;  

COD ID: 1558015
CIF file Formula: - Be4 Br2 H36 N14 -
Comments: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science 11(21) (2020) 5415-5422
Space group: P 3
Cell volume: 1498.5
Cell parameters: 14.2177; 14.2177; 8.56; 90; 90; 120;  

COD ID: 1558016
CIF file Formula: - Be4 Cl2 H36 N14 -
Comments: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science 11(21) (2020) 5415-5422
Space group: P 3
Cell volume: 1407.86
Cell parameters: 13.9342; 13.9342; 8.3727; 90; 90; 120;  

COD ID: 1558020
CIF file Formula: - C2 H36 Be4 N16 -
Comments: Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science 11(21) (2020) 5415-5422
Space group: P 3
Cell volume: 1480.16
Cell parameters: 14.1334; 14.1334; 8.5563; 90; 90; 120;  

COD ID: 1559218
CIF file Formula: - Al27 K24.67 Na2.33 O108 Si27 -
Comments: Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem IUCrJ 7(6) (2020)
Space group: P 3
Cell volume: 5427.3
Cell parameters: 27.0597; 27.0597; 8.5587; 90; 90; 120;  

COD ID: 1559870
CIF file Formula: - C60 H94.33 O2.33 S10 -
Comments: Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science 11(48) (2020) 13015-13025
Space group: P 3
Cell volume: 6321
Cell parameters: 20.793; 20.793; 16.882; 90; 90; 120;  

COD ID: 1562155
CIF file Formula: - Mn3 O14 P2 Pb3 Te -
Comments: Silverstein, Harlyn J.; Huq, Ashfia; Lee, Minseong; Choi, Eun Sang; Zhou, Haidong; Wiebe, Christopher R. Nuclear and magnetic supercells in the multiferroic candidate: Pb3TeMn3P2O14 Journal of Solid State Chemistry 221 (2015) 216-223
Space group: P 3
Cell volume: 2323.94
Cell parameters: 22.43472; 22.43472; 5.33154; 90; 90; 120;  

COD ID: 1562286
CIF file Formula: - C102 H96 N12 O36 Pr2 -
Comments: Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties Journal of Solid State Chemistry 218 (2014) 202-212
Space group: P 3
Cell volume: 3764.3
Cell parameters: 19.06; 19.06; 11.965; 90; 90; 120;  

COD ID: 1572518
CIF file Formula: - C20.67 H14 Co N4 O2.67 -
Comments: Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals 14(8) (2024) 731
Space group: P 3
Cell volume: 1579.4
Cell parameters: 11.6083; 11.6083; 13.5342; 90; 90; 120;  

COD ID: 1575100
CIF file Formula: - C105 H107.5 N9.5 Na4 O23.5 Si2 -
Comments: Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming Construction of helicates based on six-coordinated silicon centres. Chemical science 16(32) (2025) 14448-14454
Space group: P 3
Cell volume: 5833
Cell parameters: 12.0214; 12.0214; 46.609; 90; 90; 120;  

COD ID: 2000125
CIF file Formula: - C22 H52 F4 Ga4 N4 O16 P4 -
Comments: Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H. Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent Microporous and Mesoporous Materials 22(1-3) (1998) 43-55
Space group: P 3
Cell volume: 2995.77
Cell parameters: 20.0746; 20.0746; 8.5839; 90; 90; 120;  

COD ID: 2002126
CIF file Formula: - Cr3 O9 Sr4 -
Comments: Cuno, E; Mueller-Buschbaum, Hk ZUr Kenntnis eines gemischtvalenten Oxochromats(III,IV): Sr4 Cr3 O9 Zeitschrift fuer Anorganische und Allgemeine Chemie 572 (1989) 175-180
Space group: P 3
Cell volume: 630.8
Cell parameters: 9.6182; 9.6182; 7.8736; 90; 90; 120;  

COD ID: 2002161
CIF file Formula: - La O6 Te0.75 Ti1.25 -
Comments: Wulff, L; Mueller-Buschbaum, H Synthese und Kristallstruktur des Lanthan-Titanat-Tellurats La Ti (Ti0.25 Te0.75) O6 und seine Verwandtschaft mit Pb Sb2 O6 und Sr (Mn Te) O6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 53 (1998) 149-152
Space group: P 3
Cell volume: 119.4
Cell parameters: 5.141; 5.141; 5.218; 90; 90; 120;  

COD ID: 2010630
CIF file

HKL data

Original IUCr paper

 Formula: - C12 H60 Cl7 Co2 N12 Na O6 -
Comments: Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6) Acta Crystallographica Section C 56(2) (2000) 149-151
Space group: P 3
Cell volume: 909
Cell parameters: 11.415; 11.415; 8.0552; 90; 90; 120;  

COD ID: 2011309
CIF file

HKL data

Original IUCr paper

 Formula: - C54 H45 Cl Ni P3 -
Comments: Ellis, Dianne D.; Spek, Anthony L. Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I) Acta Crystallographica Section C 56(9) (2000) 1067-1070
Space group: P 3
Cell volume: 3271.6
Cell parameters: 19.0125; 19.0125; 10.4507; 90; 90; 120;  

COD ID: 2011660
CIF file

Original IUCr paper

 Formula: - Na4 O12 Ti5 -
Comments: Avdeev, Maxim; Kholkin, Andrei Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data Acta Crystallographica Section C 56(12) (2000) e539-e540
Space group: P 3
Cell volume: 234.238
Cell parameters: 5.31997; 5.31997; 9.5567; 90; 90; 120;  

COD ID: 2016713
CIF file

HKL data

Original IUCr paper

 Formula: - C16 H28 O3 -
Comments: Stilinović, Vladimir; Kaitner, Branko Partial ordering of tripivaloylmethane at 110K Acta Crystallographica Section C 64(8) (2008) o450-o452
Space group: P 3
Cell volume: 1187.52
Cell parameters: 15.5892; 15.5892; 5.6424; 90; 90; 120;  

COD ID: 2019308
CIF file

Original IUCr paper

 Formula: - H9 N6 O9 Rh -
Comments: Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N. Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry Acta Crystallographica Section C 69(12) (2013) 1462-1466
Space group: P 3
Cell volume: 255.77
Cell parameters: 7.496; 7.496; 5.256; 90; 90; 120;  

COD ID: 2020218
CIF file Formula: - F12 H24 N6 O12 S3 Sb4 -
Comments: Waskowska, A.; Lis, T. Structure of hexaammonium dodecafluorotrisulfato tetraantimonate(III) at 300K Acta Crystallographica C (39,1983-) 44 (1988) 1342-1345
Space group: P 3
Cell volume: 1896.39
Cell parameters: 17.07; 17.07; 7.515; 90; 90; 120;  

COD ID: 2022130
CIF file

HKL data

Original IUCr paper

 Formula: - C9 H12 N4 O6 -
Comments: Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding Acta Crystallographica Section C 76(6) (2020)
Space group: P 3
Cell volume: 836.01
Cell parameters: 12.7917; 12.7917; 5.8996; 90; 90; 120;  

COD ID: 2100674
CIF file

Original IUCr paper

 Formula: - As Ga O4 -
Comments: Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel Structural characterization of a new high-pressure phase of GaAsO~4~ Acta Crystallographica Section B 62(6) (2006) 1019-1024
Space group: P 3
Cell volume: 256.083
Cell parameters: 8.2033195; 8.2033195; 4.3941092; 90; 90; 120;  

COD ID: 2101950
CIF file

Original IUCr paper

 Formula: - C16 H22 N6 -
Comments: Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M. Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction Acta Crystallographica Section B 53(6) (1997) 939-944
Space group: P 3
Cell volume: 1209.4
Cell parameters: 16.152; 16.152; 5.353; 90; 90; 120;  

COD ID: 2103731
CIF file

Original IUCr paper

 Formula: - C6 H11 N O -
Comments: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime Acta Crystallographica Section B 57(5) (2001) 705-713
Space group: P 3
Cell volume: 2905.88
Cell parameters: 20.983; 20.983; 7.621; 90; 90; 120;  

COD ID: 2104666
CIF file

Original IUCr paper

 Formula: - Ge9 O33 Pb15 -
Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16
Space group: P 3
Cell volume: 966.23
Cell parameters: 10.22887; 10.22887; 10.66337; 90; 90; 120;  

COD ID: 2104667
CIF file

Original IUCr paper

 Formula: - Bi1.5 Ge9 Na1.5 O33 Pb12 -
Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16
Space group: P 3
Cell volume: 935.651
Cell parameters: 10.13385; 10.13385; 10.52045; 90; 90; 120;  

COD ID: 2104668
CIF file

Original IUCr paper

 Formula: - Bi3 Ge9 Na3 O33 Pb9 -
Comments: Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B 66(1) (2010) 1-16
Space group: P 3
Cell volume: 916.934
Cell parameters: 10.08745; 10.08745; 10.40506; 90; 90; 120;  

COD ID: 2108521
CIF file

HKL data

 Formula: - Cu6 H16 O21 S2 Zn -
Comments: Elliott, Peter Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure Acta Crystallographica Section B 75(6) (2019)
Space group: P 3
Cell volume: 412.43
Cell parameters: 8.1905; 8.1905; 7.099; 90; 90; 120;  

COD ID: 2200391
CIF file

HKL data

Original IUCr paper

 Formula: - C10 H24 N2 O8 S3 -
Comments: N. Srinivasan; B. Sridhar; R. K. Rajaram Bis(<small>DL</small>-methioninium) sulfate Acta Crystallographica Section E 57(8) (2001) o746-o748
Space group: P 3
Cell volume: 1353.7
Cell parameters: 10.281; 10.281; 14.788; 90; 90; 120;  

COD ID: 2226327
CIF file

HKL data

Original IUCr paper

 Formula: - B4 O7 Sr -
Comments: Vasiliev, Alexander D.; Cherepakhin, Alexander V.; Zaitsev, Alexander I. The trigonal polymorph of strontium tetraborate, β-SrB~4~O~7~ Acta Crystallographica Section E 66(6) (2010) i48
Space group: P 3
Cell volume: 1082.61
Cell parameters: 17.145; 17.145; 4.2527; 90; 90; 120;  

COD ID: 2311858
CIF file

Original IUCr paper

 Formula: - C56 H108 F6 Mg N6 O33 S2 -
Comments: Fujita, Megumi; Kazerouni, Amaan M.; Bacsa, John The structure of a valinomycin-hexaaquamagnesium trifluoromethanesulfonate compound. Acta crystallographica. Section C, Structural chemistry 72(Pt 8) (2016) 627-633
Space group: P 3
Cell volume: 2063.67
Cell parameters: 16.4188; 16.4188; 8.8395; 90; 90; 120;  

COD ID: 2312129
CIF file

HKL data

Original IUCr paper

 Formula: - C12 H60 Cl7 Co2 N12 Na O6 -
Comments: Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G. Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>. Acta crystallographica. Section C, Structural chemistry 79(Pt 5) (2023) 164-169
Space group: P 3
Cell volume: 893.2
Cell parameters: 11.32; 11.32; 8.049; 90; 90; 120;  

COD ID: 2312762
CIF file

HKL data

Original IUCr paper

 Formula: - C30 H43 N17 Ni O17 S3 -
Comments: Hribesh, Samira O.; Clegg, William; Harrington, Ross W.; Houlton, Andrew; Pike, Andrew R. Synthesis and crystal structure of a nickel(II) 2'-deoxy-6-thioguanosine nitrate complex. Acta crystallographica. Section C, Structural chemistry 81(Pt 3) (2025) 165-169
Space group: P 3
Cell volume: 3360.5
Cell parameters: 24.185; 24.185; 6.6341; 90; 90; 120;  

COD ID: 3000455
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3
Cell volume: 859.078
Cell parameters: 5.05475; 5.05475; 38.8242; 90; 90; 120;  

COD ID: 3000457
CIF file Formula: - C8 H6 Mg3 O6 -
Comments: Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports 13 (2023) 23090
Space group: P 3
Cell volume: 859.583
Cell parameters: 5.05489; 5.05489; 38.844898; 90; 90; 120;  

COD ID: 4001757
CIF file Formula: - C31.67 H31.67 N4 Ni2 O12.67 -
Comments: Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks Chemistry of Materials 25(7) (2013) 1047
Space group: P 3
Cell volume: 4318
Cell parameters: 16.586; 16.586; 18.124; 90; 90; 120;  

COD ID: 4001758
CIF file Formula: - C34 H28 N4 Ni2 O12 -
Comments: Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks Chemistry of Materials 25(7) (2013) 1047
Space group: P 3
Cell volume: 4359.7
Cell parameters: 16.634; 16.634; 18.194; 90; 90; 120;  

COD ID: 4002831
CIF file Formula: - Bi13 I2 S18 -
Comments: Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E. Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures Chemistry of Materials (2017)
Space group: P 3
Cell volume: 847.9
Cell parameters: 15.612; 15.612; 4.0168; 90; 90; 120;  

COD ID: 4036766
CIF file Formula: - C21.67 H36 Ho0 O17.67 -
Comments: Maiti, Krishnagopal; Jayaraman, Narayanaswamy Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages. The Journal of organic chemistry 81(11) (2016) 4616-4622
Space group: P 3
Cell volume: 1981.4
Cell parameters: 11.0527; 11.0527; 18.729; 90; 90; 120;  

COD ID: 4108180
CIF file Formula: - C33 H66 Br8 Cu8 N6 O3 -
Comments: Wen Zhang; Ren-Gen Xiong; Songping D. Huang 3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity Journal of the American Chemical Society 130 (2008) 10468-10469
Space group: P 3
Cell volume: 1342.4
Cell parameters: 15.2582; 15.2582; 6.6579; 90; 90; 120;  

COD ID: 4110994
CIF file Formula: - C12 H24 Ag Cl2 O8 S6 -
Comments: Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II) Journal of the American Chemical Society 128 (2006) 13827-13839
Space group: P 3
Cell volume: 545.4
Cell parameters: 10.973; 10.973; 5.23; 90; 90; 120;  

COD ID: 4110995
CIF file Formula: - C12 H24 Ag Cl2 O8 S6 -
Comments: Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II) Journal of the American Chemical Society 128 (2006) 13827-13839
Space group: P 3
Cell volume: 528.8
Cell parameters: 10.851; 10.851; 5.186; 90; 90; 120;  

COD ID: 4114583
CIF file Formula: - C18 H30.5 Cl1.5 Co N10 O4 -
Comments: Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups Journal of the American Chemical Society 124 (2002) 629-640
Space group: P 3
Cell volume: 1216.7
Cell parameters: 12.277; 12.2772; 9.321; 90; 90; 120;  

COD ID: 4115954
CIF file Formula: - C180 H144 F72 N36 Os3 P12 Ru3 -
Comments: Josef Breu; Cornelius Kratzer; Hartmut Yersin Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4 Journal of the American Chemical Society 122 (2000) 2548-2555
Space group: P 3
Cell volume: 4768.7
Cell parameters: 18.4189; 18.4189; 16.2309; 90; 90; 120;  

COD ID: 4120480
CIF file Formula: - C63.67 H79.33 Cl7.33 N12 -
Comments: Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I. Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. Journal of the American Chemical Society 136(4) (2014) 1438-1448
Space group: P 3
Cell volume: 5378.2
Cell parameters: 24.075; 24.075; 10.7146; 90; 90; 120;  

COD ID: 4130594
CIF file Formula: - C6 Br4 Cl2 Ga N2 S4 -
Comments: Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T. Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure. Journal of the American Chemical Society 138(34) (2016) 10738-10741
Space group: P 3
Cell volume: 1274.91
Cell parameters: 13.6489; 13.6489; 7.9023; 90; 90; 120;  

COD ID: 4133032
CIF file Formula: - C22 H9 Cl3 Fe2 N9 O12 -
Comments: Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks. Journal of the American Chemical Society 140(39) (2018) 12611-12621
Space group: P 3
Cell volume: 1507.8
Cell parameters: 13.5493; 13.5493; 9.484; 90; 90; 120;  

COD ID: 4133033
CIF file Formula: - C22 H67 Cl3 Fe2 N9 O41 -
Comments: Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks. Journal of the American Chemical Society 140(39) (2018) 12611-12621
Space group: P 3
Cell volume: 1514.1
Cell parameters: 13.616; 13.616; 9.43; 90; 90; 120;  

COD ID: 4133181
CIF file Formula: - C42 H66 Cl6 I0.84 N6 -
Comments: Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M. Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity. Journal of the American Chemical Society 140(44) (2018) 14571-14575
Space group: P 3
Cell volume: 23017
Cell parameters: 43.918; 43.918; 13.7792; 90; 90; 120;  

COD ID: 4133249
CIF file Formula: - C37 H52 -
Comments: Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R. Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives. Journal of the American Chemical Society 140(43) (2018) 14421-14432
Space group: P 3
Cell volume: 4699.6
Cell parameters: 23.2294; 23.2294; 10.0567; 90; 90; 120;  

COD ID: 4133704
CIF file Formula: - C42 H51 B F4 Fe N8 O -
Comments: Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane. Journal of the American Chemical Society 141(43) (2019) 17217-17235
Space group: P 3
Cell volume: 3126.4
Cell parameters: 19.1778; 19.1778; 9.8155; 90; 90; 120;  

COD ID: 4305618
CIF file Formula: - C61 H69 Cr3 Mn3 N8 O36 -
Comments: Miguel Clemente-León; Eugenio Coronado; Joao C. Dias; Alejandra Soriano-Portillo; Roger D. Willett Synthesis, Structure, and Magnetic Properties of [(S)-[PhCH(CH3)N(CH3)3]][Mn(CH3CN)2/3Cr(ox)3].(CH3CN)_(solvate), a 2D Chiral Magnet Containing a Quaternary Ammonium Chiral Cation Inorganic Chemistry 47 (2008) 6458-6463
Space group: P 3
Cell volume: 2066.3
Cell parameters: 15.966; 15.966; 9.36; 90; 90; 120;  

COD ID: 4309213
CIF file Formula: - C42 H79 Br8 In5 N6 -
Comments: Marcus L. Cole; Cameron Jones; Marc Kloth Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]- Inorganic Chemistry 44 (2005) 4909-4911
Space group: P 3
Cell volume: 6007.7
Cell parameters: 21.359; 21.359; 15.206; 90; 90; 120;  

COD ID: 4311301
CIF file Formula: - C36 H45 B2 F8 Fe2 N20 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: P 3
Cell volume: 1130.85
Cell parameters: 11.8047; 11.8047; 9.3705; 90; 90; 120;  

COD ID: 4311302
CIF file Formula: - C36 H45 B2 F8 Fe2 N20 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: P 3
Cell volume: 1163.88
Cell parameters: 11.9346; 11.9346; 9.4354; 90; 90; 120;  

COD ID: 4311303
CIF file Formula: - C36 H45 B2 F8 Fe2 N20 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: P 3
Cell volume: 3544.3
Cell parameters: 11.9678; 11.9678; 28.5739; 90; 90; 120;  

COD ID: 4311692
CIF file Formula: - C36 H71 Fe N5 O51 Ti2 -
Comments: Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes Inorganic Chemistry 43 (2004) 6266-6273
Space group: P 3
Cell volume: 1574.49
Cell parameters: 15.4413; 15.441; 7.6252; 90; 90; 120;  

COD ID: 4327202
CIF file Formula: - C48 Al6 N3 O117 Si3 W30 -
Comments: Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties Inorganic Chemistry 50 (2011) 12411-12413
Space group: P 3
Cell volume: 5734.02
Cell parameters: 22.3183; 22.3183; 13.2925; 90; 90; 120;  

COD ID: 4327258
CIF file Formula: - C18 H30.5 Br1.5 Co N10 O4 -
Comments: Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups Inorganic Chemistry 46 (2007) 8170-8181
Space group: P 3
Cell volume: 1231.4
Cell parameters: 12.339; 12.339; 9.339; 90; 90; 120;  

COD ID: 4327259
CIF file Formula: - C18 H26.5 Co I1.5 N10 O2 -
Comments: Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups Inorganic Chemistry 46 (2007) 8170-8181
Space group: P 3
Cell volume: 1247.8
Cell parameters: 12.388; 12.388; 9.389; 90; 90; 120;  

COD ID: 4327260
CIF file Formula: - C18 H27.5 B1.5 Co F6 N10 O2.5 -
Comments: Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups Inorganic Chemistry 46 (2007) 8170-8181
Space group: P 3
Cell volume: 1209.3
Cell parameters: 12.254; 12.254; 9.299; 90; 90; 120;  

COD ID: 4327261
CIF file Formula: - C18 H24.5 Cl1.5 Co N10 O7 -
Comments: Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups Inorganic Chemistry 46 (2007) 8170-8181
Space group: P 3
Cell volume: 1221.3
Cell parameters: 12.304; 12.304; 9.315; 90; 90; 120;  

COD ID: 4330509
CIF file Formula: - C67 H73 Co3 F6 N6 O0.5 P4 -
Comments: Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure Inorganic Chemistry 51 (2012) 10290-10299
Space group: P 3
Cell volume: 1593.6
Cell parameters: 12.6987; 12.6987; 11.4114; 90; 90; 120;  

COD ID: 4334696
CIF file Formula: - C30 H43 Co N17 O17 S3 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 5290-5299
Space group: P 3
Cell volume: 3298.8
Cell parameters: 23.97; 23.97; 6.6297; 90; 90; 120;  

COD ID: 4334697
CIF file Formula: - C30 H39 Co N15 O13.5 S3 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 5290-5299
Space group: P 3
Cell volume: 2016.9
Cell parameters: 18.815; 18.815; 6.5787; 90; 90; 120;  

COD ID: 4334698
CIF file Formula: - C30 H42 Co N15 O19 S4 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 5290-5299
Space group: P 3
Cell volume: 2118.3
Cell parameters: 19.225; 19.225; 6.618; 90; 90; 120;  

COD ID: 4335305
CIF file Formula: - C30 H43 Co N17 O17 S3 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 7306-7306
Space group: P 3
Cell volume: 3298.8
Cell parameters: 23.97; 23.97; 6.6297; 90; 90; 120;  

COD ID: 4335306
CIF file Formula: - C30 H39 Co N15 O13.5 S3 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 7306-7306
Space group: P 3
Cell volume: 2016.9
Cell parameters: 18.815; 18.815; 6.5787; 90; 90; 120;  

COD ID: 4335307
CIF file Formula: - C30 H42 Co N15 O19 S4 -
Comments: Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers Inorganic Chemistry 52 (2013) 7306-7306
Space group: P 3
Cell volume: 2118.3
Cell parameters: 19.225; 19.225; 6.618; 90; 90; 120;  

COD ID: 4335635
CIF file Formula: - C H5 I3 N2 Pb -
Comments: Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Inorganic Chemistry 52 (2013) 9019-9038
Space group: P 3
Cell volume: 2988.4
Cell parameters: 17.7914; 17.7914; 10.9016; 90; 90; 120;  

COD ID: 4335883
CIF file Formula: - C54 H29 Cl6 Cr Mn N6 O14 -
Comments: Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures Inorganic Chemistry 52 (2013) 10031-10040
Space group: P 3
Cell volume: 1488.77
Cell parameters: 13.7991; 13.7991; 9.0281; 90; 90; 120;  

COD ID: 4344212
CIF file Formula: - C12 Ir3.93357 O12 -
Comments: Churchill, M.R.; Hutchinson, J.L. Crystal structure of tetrairidium dodecacarbonyl, Ir4 (C O)12. An unpleasant case of disorder Inorganic Chemistry 17 (1978) 3528-3535
Space group: P 3
Cell volume: 1373.74
Cell parameters: 13.29; 13.29; 8.981; 90; 90; 120;  

COD ID: 4344772
CIF file Formula: - C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -
Comments: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O. Inorganic chemistry 55(1) (2015) 300
Space group: P 3
Cell volume: 1171.5
Cell parameters: 13.1327; 13.1327; 7.8434; 90; 90; 120;  

COD ID: 4344773
CIF file Formula: - C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -
Comments: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O. Inorganic chemistry 55(1) (2015) 300
Space group: P 3
Cell volume: 1167.86
Cell parameters: 13.1187; 13.1187; 7.8357; 90; 90; 120;  

COD ID: 4344774
CIF file Formula: - C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -
Comments: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O. Inorganic chemistry 55(1) (2015) 300
Space group: P 3
Cell volume: 1164.6
Cell parameters: 13.106; 13.106; 7.829; 90; 90; 120;  

COD ID: 4344775
CIF file Formula: - C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -
Comments: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O. Inorganic chemistry 55(1) (2015) 300
Space group: P 3
Cell volume: 1161.75
Cell parameters: 13.0947; 13.0947; 7.8233; 90; 90; 120;  

COD ID: 4344776
CIF file Formula: - C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -
Comments: Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O. Inorganic chemistry 55(1) (2015) 300
Space group: P 3
Cell volume: 1160.58
Cell parameters: 13.0899; 13.0899; 7.8212; 90; 90; 120;  

COD ID: 4344806
CIF file Formula: - C6 H18 Cl2 Co N18 O4 -
Comments: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material. Inorganic chemistry 55(1) (2015) 322
Space group: P 3
Cell volume: 471.95
Cell parameters: 9.4129; 9.4129; 6.1506; 90; 90; 120;  

COD ID: 4344807
CIF file Formula: - C6 H18 Cl2 Mn N18 O4 -
Comments: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material. Inorganic chemistry 55(1) (2015) 322
Space group: P 3
Cell volume: 482.86
Cell parameters: 9.5156; 9.5156; 6.1577; 90; 90; 120;  

COD ID: 4344809
CIF file Formula: - C6 H18 Cl2 N18 Ni O4 -
Comments: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material. Inorganic chemistry 55(1) (2015) 322
Space group: P 3
Cell volume: 458.05
Cell parameters: 9.3258; 9.3258; 6.0815; 90; 90; 120;  

COD ID: 4344810
CIF file Formula: - C6 H18 Cl2 N18 O4 Zn -
Comments: Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material. Inorganic chemistry 55(1) (2015) 322
Space group: P 3
Cell volume: 475.82
Cell parameters: 9.454; 9.454; 6.1473; 90; 90; 120;  

COD ID: 4350584
CIF file Formula: - C66 H75 Cu3 F9 N9 O9 S3 -
Comments: Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer. Inorganic chemistry 45(26) (2006) 10825-10835
Space group: P 3
Cell volume: 5406.7
Cell parameters: 24.496; 24.496; 10.4042; 90; 90; 120;  

COD ID: 4502234
CIF file Formula: - C14.67 H13 Cd N0.33 O7.33 S -
Comments: Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties Crystal Growth & Design 10(1) (2010) 146
Space group: P 3
Cell volume: 1617.09
Cell parameters: 11.6534; 11.6534; 13.7499; 90; 90; 120;  

COD ID: 4514873
CIF file Formula: - C18 H28 O2 -
Comments: Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes ACS Catalysis 9(3) (2019) 1973
Space group: P 3
Cell volume: 1217.5
Cell parameters: 15.378; 15.378; 5.9449; 90; 90; 120;  

COD ID: 4516924
CIF file Formula: - C80 H120 N18 O16 S -
Comments: Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors. ACS omega 2(9) (2017) 5840-5849
Space group: P 3
Cell volume: 6337.3
Cell parameters: 27.389; 27.389; 9.7549; 90; 90; 120;  

COD ID: 4519320
CIF file Formula: - C138 Nd6 O64 Yb6 -
Comments: Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A. Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF. ACS applied materials & interfaces 14(8) (2022) 10566-10576
Space group: P 3
Cell volume: 33603.4
Cell parameters: 40.2698; 40.2698; 23.9273; 90; 90; 120;  

COD ID: 7004238
CIF file Formula: - C66 H55 B N6 P3 Tl -
Comments: Kealey, Steven; Long, Nicholas J.; Miller, Philip W.; White, Andrew J. P.; Gee, Antony D. ScorpoPhos: a novel phosphine-nitrogen ligand containing a tris(pyrazolyl)borate ligand core Dalton Transactions (issue 20) (2008) 2677-2679
Space group: P 3
Cell volume: 13150
Cell parameters: 38.2173; 38.2173; 10.39625; 90; 90; 120;  

COD ID: 7005758
CIF file Formula: - C24 H36 Co N2 O8 -
Comments: Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols Dalton Transactions (issue 37) (2007) 4185
Space group: P 3
Cell volume: 1866.2
Cell parameters: 17.44; 17.44; 7.085; 90; 90; 120;  

COD ID: 7005763
CIF file Formula: - C24 H36 N2 Ni O8 -
Comments: Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols Dalton Transactions (issue 37) (2007) 4185
Space group: P 3
Cell volume: 1923
Cell parameters: 17.611; 17.611; 7.158; 90; 90; 120;  

COD ID: 7008344
CIF file Formula: - C18 H56 Ga7 N13 -
Comments: Cowley, Andrew R.; Downs, Anthony J.; Himmel, Hans-Jorg; Marchant, Sarah; Parsons, Simon; Yeoman, Justin A. 1,1,3,3-Tetramethylguanidine-gallane, (Me2N)2CN(H).GaH3: an unusually strongly bound gallane adduct. Dalton transactions (Cambridge, England : 2003) (issue 9) (2005) 1591-1597
Space group: P 3
Cell volume: 2968.72
Cell parameters: 19.7013; 19.7013; 8.8318; 90; 90; 120;  

COD ID: 7011303
CIF file Formula: - C168 H161.67 Cl8 N28 O36.33 Zn4 -
Comments: Cheng He; Le-Yong Wang; Zhe-Ming Wang; Yuan Liu; Chun-Sheng Liao; Chun-Hua Yan Self-assembly of tetrahedral M4L6 clusters from a new rigid ligand J. Chem. Soc., Dalton Trans. (issue 2) (2002) 134-135
Space group: P 3
Cell volume: 14772.8
Cell parameters: 29.2594; 29.2594; 19.9252; 90; 90; 120;  

COD ID: 7011304
CIF file Formula: - C169.33 H163.33 Cl8 Cu4 N26 O37.33 -
Comments: Cheng He; Le-Yong Wang; Zhe-Ming Wang; Yuan Liu; Chun-Sheng Liao; Chun-Hua Yan Self-assembly of tetrahedral M4L6 clusters from a new rigid ligand J. Chem. Soc., Dalton Trans. (issue 2) (2002) 134-135
Space group: P 3
Cell volume: 14760.7
Cell parameters: 29.2162; 29.2162; 19.9678; 90; 90; 120;  

COD ID: 7018900
CIF file Formula: - C42 H52 Cu2 Li2 N2 O4 P2 -
Comments: Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H. Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates Dalton Transactions 41(20) (2012) 6148
Space group: P 3
Cell volume: 4093.51
Cell parameters: 18.3517; 18.3517; 14.035; 90; 90; 120;  

COD ID: 7025149
CIF file Formula: - C231 H332 F6 Fe4 N49 Ni6 O41 P -
Comments: Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages Dalton Transactions 39(20) (2010) 4730
Space group: P 3
Cell volume: 11646
Cell parameters: 19.567; 19.567; 35.123; 90; 90; 120;  

COD ID: 7025150
CIF file Formula: - C233 H340 F6 Fe4 N49 Ni6 O43 P -
Comments: Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages Dalton Transactions 39(20) (2010) 4730
Space group: P 3
Cell volume: 11638
Cell parameters: 19.574; 19.574; 35.075; 90; 90; 120;  

COD ID: 7031956
CIF file Formula: - C52 H41 N9 O9 Zn2 -
Comments: Wang, Yue; Qi, Yan; Blatov, Vladislav A.; Zheng, Jimin; Li, Qun; Zhang, Chao Two new zinc(ii) coordination complexes with helix characteristics showing both interpenetration and self-catenation features: a platform for the synthesis of chiral and catenated structures assembled by length-modulated dicarboxylates. Dalton transactions (Cambridge, England : 2003) 43(40) (2014) 15151-15158
Space group: P 3
Cell volume: 3634.3
Cell parameters: 19.106; 19.106; 11.496; 90; 90; 120;  

COD ID: 7035333
CIF file Formula: - C181.75 H183 Cl9.5 N24.5 Ni4 O32 S12 -
Comments: Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction. Dalton transactions (Cambridge, England : 2003) 44(29) (2015) 13087-13092
Space group: P 3
Cell volume: 11888.2
Cell parameters: 26.2992; 26.2992; 19.8472; 90; 90; 120;  

COD ID: 7043986
CIF file Formula: - C45 H53 Cd2 N7 O18 -
Comments: Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF Dalton Transactions 46(35) (2017) 11656-11663
Space group: P 3
Cell volume: 2480.2
Cell parameters: 17.975; 17.975; 8.8636; 90; 90; 120;  

COD ID: 7051387
CIF file Formula: - C21 H38 Cl3.33 Fe0.33 Mg2.33 O8 -
Comments: New Journal of Chemistry 23(2) (1999) 185-188
Space group: P 3
Cell volume: 2297
Cell parameters: 16.058; 16.058; 10.286; 90; 90; 120;  

COD ID: 7100528
CIF file Formula: - C21 H15 Co Gd N3 O15 -
Comments: Srinivasan Natarajan; Giridhar Madras; Partha Mahata; Gopinathan Sankar A Porous Sheet 4f-3d Mixed-Metal Pyridine Dicarboxylate: Synthesis, Structure, Photophysical Properties and its Transformation to a Perovskite Oxide Chemical Communications (2005)
Space group: P 3
Cell volume: 893.04
Cell parameters: 13.1879; 13.1879; 5.9291; 90; 90; 120;  

COD ID: 7102073
CIF file Formula: - C19.25 H18.25 Br Cl0.75 N -
Comments: Bond, Andrew D; Jørgensen, Wendie H; Pløger, Jane M Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state. Chemical communications (Cambridge, England) (issue 31) (2007) 3273-3275
Space group: P 3
Cell volume: 3640.82
Cell parameters: 14.3387; 14.3387; 20.4479; 90; 90; 120;  

COD ID: 7103978
CIF file Formula: - C49 H33 N6 Ni3 O18 -
Comments: Prior, T. J.; Bradshaw, D.; Teat, S. J.; Rosseinsky, M. J. Designed layer assembly: a three-dimensional framework with 74% extra-framework volume by connection of infinite two-dimensional sheets Chemical Communications (Cambridge, United Kingdom) (issue 4) (2003) 500-501
Space group: P 3
Cell volume: 10997.7
Cell parameters: 33.5211; 33.5211; 11.3015; 90; 90; 120;  

COD ID: 7115117
CIF file Formula: - C56 H56 N12 O15 -
Comments: Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K. The first D‒π‒A octupolar cryptand molecule to exhibit bulk non-linearity Chemical Communications (issue 18) (2000) 1815
Space group: P 3
Cell volume: 3832
Cell parameters: 16.63; 16.62; 16.01; 90; 90; 120;  

COD ID: 7115468
CIF file Formula: - C72 H84 N27 -
Comments: Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper Guest control of structure in porous organic cages Chem.Commun. 50 (2014) 9465
Space group: P 3
Cell volume: 6080.1
Cell parameters: 25.2558; 25.2558; 11.0068; 90; 90; 120;  

COD ID: 7115469
CIF file Formula: - C72 H84 N12 -
Comments: Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper Guest control of structure in porous organic cages Chem.Commun. 50 (2014) 9465
Space group: P 3
Cell volume: 6039.5
Cell parameters: 25.1483; 25.1483; 11.0268; 90; 90; 120;  

COD ID: 7115470
CIF file Formula: - C72 H84 N12 -
Comments: Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper Guest control of structure in porous organic cages Chem.Commun. 50 (2014) 9465
Space group: P 3
Cell volume: 6090.7
Cell parameters: 25.2084; 25.2084; 11.0674; 90; 90; 120;  

COD ID: 7119591
CIF file Formula: - C45 H48 In N3 O6 -
Comments: Gary, Dylan C.; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M. Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement. Chemical communications (Cambridge, England) 53(1) (2016) 161-164
Space group: P 3
Cell volume: 2963.8
Cell parameters: 25.444; 25.444; 5.2862; 90; 90; 120;  

COD ID: 7134252
CIF file Formula: - C527 H294 B18 K18 N108 O45 -
Comments: Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B. Isolating the ring-redox states of boron sub-phthalocyanines. Chemical communications (Cambridge, England) 61(19) (2025) 3832-3835
Space group: P 3
Cell volume: 13598.2
Cell parameters: 27.0235; 27.0235; 21.5015; 90; 90; 120;  

COD ID: 7204416
CIF file Formula: - C158 H158 N34 O45 -
Comments: Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K. A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics Journal of Materials Chemistry 12(8) (2002) 2237
Space group: P 3
Cell volume: 3832
Cell parameters: 16.63; 16.63; 16; 90; 90; 120;  

COD ID: 7209765
CIF file Formula: - C3 H12 Bi Cl3 N6 S3 -
Comments: Li, Ming; Li, R. K. Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride CrystEngComm 15(20) (2013) 4176
Space group: P 3
Cell volume: 1142.6
Cell parameters: 13.593; 13.593; 7.1406; 90; 90; 120;  

COD ID: 7220293
CIF file Formula: - C21 H15 Co Dy N3 O15 -
Comments: Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid CrystEngComm 17(20) (2015) 3852
Space group: P 3
Cell volume: 878.5
Cell parameters: 13.135; 13.135; 5.8794; 90; 90; 120;  

COD ID: 7220294
CIF file Formula: - C21 H15 Co Ho N3 O15 -
Comments: Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid CrystEngComm 17(20) (2015) 3852
Space group: P 3
Cell volume: 866.15
Cell parameters: 13.0601; 13.0601; 5.8637; 90; 90; 120;  

COD ID: 7220295
CIF file Formula: - C21 H15 Co Er N3 O15 -
Comments: Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid CrystEngComm 17(20) (2015) 3852
Space group: P 3
Cell volume: 863.93
Cell parameters: 13.0479; 13.0479; 5.8596; 90; 90; 120;  

COD ID: 7220296
CIF file Formula: - C21 H15 Co N3 O15 Tm -
Comments: Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid CrystEngComm 17(20) (2015) 3852
Space group: P 3
Cell volume: 860.98
Cell parameters: 13.0373; 13.0373; 5.8491; 90; 90; 120;  

COD ID: 7222827
CIF file Formula: - Na2 O3 S2 -
Comments: von Benda, H.; von Benda, K. Zur Polymorphie des Na2 S2 O3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34 (1979) 957-968
Space group: P 3
Cell volume: 361.321
Cell parameters: 8.7287; 8.7287; 5.476; 90; 90; 120;  

COD ID: 7223432
CIF file Formula: - C13.33 H17.33 N O4.33 S -
Comments: Balakrishnan, C.; M, Theetharappan; Natarajan, Satheesh; S, Thalamuthu; M A, Neelakantan Fluorescence response of a thiazolidine carboxylic acid derivative for the selective and nanomolar detection of Zn(II) ions: quantum chemical calculations and application in real samples RSC Adv. (2015)
Space group: P 3
Cell volume: 1101.3
Cell parameters: 14.014; 14.014; 6.475; 90; 90; 120;  

COD ID: 7229527
CIF file Formula: - C56.33 H63.33 N2 O8.33 -
Comments: Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state CrystEngComm (2017)
Space group: P 3
Cell volume: 3865.7
Cell parameters: 21.411; 21.411; 9.737; 90; 90; 120;  

COD ID: 7229530
CIF file Formula: - C56.67 H63 N2.33 O8 -
Comments: Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state CrystEngComm (2017)
Space group: P 3
Cell volume: 3863.1
Cell parameters: 21.4358; 21.4358; 9.708; 90; 90; 120;  

COD ID: 7229531
CIF file Formula: - C56.67 H64 N2 O8.33 -
Comments: Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state CrystEngComm (2017)
Space group: P 3
Cell volume: 3890.5
Cell parameters: 21.4114; 21.4114; 9.799; 90; 90; 120;  

COD ID: 7229532
CIF file Formula: - C56 H62 N2 O8 -
Comments: Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state CrystEngComm (2017)
Space group: P 3
Cell volume: 3852.4
Cell parameters: 21.43; 21.43; 9.6863; 90; 90; 120;  

COD ID: 7233401
CIF file Formula: - C90 H70 Gd2 N18 O25 -
Comments: Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties CrystEngComm 21(37) (2019) 5665
Space group: P 3
Cell volume: 2734.8
Cell parameters: 19.109; 19.109; 8.6482; 90; 90; 120;  

COD ID: 7233402
CIF file Formula: - C90 H90 Dy2 N18 O28 -
Comments: Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties CrystEngComm 21(37) (2019) 5665
Space group: P 3
Cell volume: 2713.2
Cell parameters: 19.1877; 19.1877; 8.5095; 90; 90; 120;  

COD ID: 7234364
CIF file Formula: - C188 H180 B8 F32 Fe4 N52 -
Comments: Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li A large spin-crossover [Fe4L4]8+ tetrahedral cage Journal of Materials Chemistry C 3 (2015) 7878-7882
Space group: P 3
Cell volume: 15833
Cell parameters: 31.59; 31.59; 18.32; 90; 90; 120;  

COD ID: 7237154
CIF file Formula: - C48 H36 Cu4 N12 O12 -
Comments: Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture Journal of Materials Chemistry A 6(40) (2018) 19681
Space group: P 3
Cell volume: 5461.61
Cell parameters: 26.0992; 26.0992; 9.2584; 90; 90; 120;  

COD ID: 7237560
CIF file Formula: - C264 H289 Mn6 N42 O43 P Ru6 -
Comments: Zhang, Daopeng; Cano, Joan; Lan, Wenlong; Liu, Hui; Sun, Fenggang; Dong, Yunhui; Zhou, Zhen; Yang, Lu; Liu, Qingyun; Jiang, Jianzhuang Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and systematic theoretical magnetism investigation Journal of Materials Chemistry C 7(12) (2019) 3623
Space group: P 3
Cell volume: 7065.5
Cell parameters: 26.526; 26.526; 11.595; 90; 90; 120;  

COD ID: 7707868
CIF file Formula: - C44 H49 Fe N5 O3.5 P3 -
Comments: Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S. Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand. Dalton transactions (Cambridge, England : 2003) 50(32) (2021) 11197-11205
Space group: P 3
Cell volume: 2129.74
Cell parameters: 17.252; 17.252; 8.2626; 90; 90; 120;  

COD ID: 7713468
CIF file Formula: - C80.33 H76.67 Cl7.67 Co2 N15 -
Comments: Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers Dalton Transactions (2023)
Space group: P 3
Cell volume: 5892.6
Cell parameters: 24.4385; 24.4385; 11.3928; 90; 90; 120;  

COD ID: 7713919
CIF file Formula: - B2 O17 P3 Pu -
Comments: Sigmon, Ginger; DiBlasi, Nicole Ann; Hixon, Amy The Crystal Chemistry of Plutonium(IV) Borophosphate Dalton Transactions (2023)
Space group: P 3
Cell volume: 297.4
Cell parameters: 7.8764; 7.8764; 5.5355; 90; 90; 120;  

COD ID: 7714594
CIF file Formula: - C102 H108 Cl13 Fe5 N12 -
Comments: Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts. Dalton transactions (Cambridge, England : 2003) 53(2) (2024) 753-764
Space group: P 3
Cell volume: 2687.8
Cell parameters: 12.444; 12.444; 20.0425; 90; 90; 120;  

COD ID: 8101262
CIF file Formula: - B2 Cr4 O24 P6 -
Comments: Mi, Jin-Xiao; Zhao, Jing-Tai; Mao, Shao-Yu; Huang, Ya-Xi; Engelhardt, Holger; Kniep, Rüdiger Crystal structure of dichromium monoborotriphosphate, Cr~2~[BP~3~O~12~] Zeitschrift für Kristallographie - New Crystal Structures 215(2) (2000) 201-202
Space group: P 3
Cell volume: 403.345
Cell parameters: 7.95419; 7.95419; 7.3613; 90; 90; 120;  

COD ID: 9000916
CIF file Formula: - B6 Ba F2 O24 Si3 Y6 -
Comments: Shen, J.; Moore, P. B. Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate sheet structure American Mineralogist 69 (1984) 190-195
Space group: P 3
Cell volume: 461.429
Cell parameters: 10.67; 10.67; 4.68; 90; 90; 120;  

COD ID: 9001785
CIF file Formula: - Ni O18 Sb2 -
Comments: Bonazzi, P.; Mazzi, F. Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BS2, synthetic Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints. American Mineralogist 81 (1996) 1494-1500
Space group: P 3
Cell volume: 2187.22
Cell parameters: 16.06; 16.06; 9.792; 90; 90; 120;  

COD ID: 9001786
CIF file Formula: - Ni O18 Sb2 -
Comments: Bonazzi, P.; Mazzi, F. Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BN1, natural Locality: Bottino mine, Apuan Alps, Italy Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints. American Mineralogist 81 (1996) 1494-1500
Space group: P 3
Cell volume: 2181.36
Cell parameters: 16.045; 16.045; 9.784; 90; 90; 120;  

COD ID: 9001890
CIF file Formula: - H12 O23 S Si Zn8 -
Comments: Hoffmann, C.; Armbruster, T.; Giester, G. The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints. American Mineralogist 82 (1997) 1014-1018
Space group: P 3
Cell volume: 442.133
Cell parameters: 8.319; 8.319; 7.377; 90; 90; 120;  

COD ID: 9002181
CIF file Formula: - Ba O9 Si4 -
Comments: Hazen, R. M.; Yang, H.; Finger, L. W.; Fursenko, B. A. Crystal chemistry of high-pressure BaSi4O9 in the trigonal (P3) barium tetragermanate structure American Mineralogist 84 (1999) 987-989
Space group: P 3
Cell volume: 491.325
Cell parameters: 11.2469; 11.2469; 4.4851; 90; 90; 120;  

COD ID: 9002342
CIF file Formula: - H24 Mg O18 Sb2 -
Comments: Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L. Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) American Mineralogist 85 (2000) 593-599
Space group: P 3
Cell volume: 2220.42
Cell parameters: 16.119; 16.119; 9.868; 90; 90; 120;  

COD ID: 9002343
CIF file Formula: - Co O18 Sb2 -
Comments: Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L. Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co) American Mineralogist 85 (2000) 593-599
Space group: P 3
Cell volume: 2212.75
Cell parameters: 16.105; 16.105; 9.851; 90; 90; 120;  

COD ID: 9002701
CIF file Formula: - H9 O14 Sr1.27 U3 -
Comments: Burns, P. C.; Li, Y. The structures of becquerelite and Sr-exchanged becquerelite put occ in tables Sample: Sr-exchanged becquerelite American Mineralogist 87 (2002) 550-557
Space group: P 3
Cell volume: 298.405
Cell parameters: 7.02; 7.02; 6.992; 90; 90; 120;  

COD ID: 9002900
CIF file Formula: - Co O18 Sb2 -
Comments: Friedrich, A.; Mazzi, F.; Wildner, M.; Tillmanns, E. Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite American Mineralogist 88 (2003) 462-463
Space group: P 3
Cell volume: 2212.75
Cell parameters: 16.105; 16.105; 9.851; 90; 90; 120;  

COD ID: 9003815
CIF file Formula: - C2 O12 Pb4 S -
Comments: Bindi, L.; Menchetti, S. Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 82C American Mineralogist 90 (2005) 1641-1647
Space group: P 3
Cell volume: 828.486
Cell parameters: 9.077; 9.077; 11.611; 90; 90; 120;  

COD ID: 9004255
CIF file Formula: - Al4 H O14 Ta3 -
Comments: Ercit, T. S.; Cerny, P.; Hawthorne, F. C. The crystal chemistry of simpsonite The Canadian Mineralogist 30 (1992) 663-671
Space group: P 3
Cell volume: 213.066
Cell parameters: 7.381; 7.381; 4.516; 90; 90; 120;  

COD ID: 9004969
CIF file Formula: - Ca0.75 H11.17 O32.46 Ti3 U5.31 -
Comments: Sokolova, E.; Hawthorne, F. C.; Belakovskiy, D. I.; Pautov, L. A. The OD (order-disorder) structure of holfertite, a hydrated uranyl titanate mineral from Searle Canyon, Thomas Range, Utah, USA The Canadian Mineralogist 43 (2005) 1545-1552
Space group: P 3
Cell volume: 765.942
Cell parameters: 10.824; 10.824; 7.549; 90; 90; 120;  

COD ID: 9005394
CIF file Formula: - C2 H2 O12 Pb4 S -
Comments: Steele, I. M.; Pluth, J. J.; Livingstone, A. Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: a trimorph with macphersonite and leadhillite European Journal of Mineralogy 11 (1999) 493-499
Space group: P 3
Cell volume: 824.614
Cell parameters: 9.0718; 9.0718; 11.57; 90; 90; 120;  

COD ID: 9009259
CIF file Formula: - B Be2 H3 O5 -
Comments: Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G. Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 1T polytype Note: anisoU's from ICSD Neues Jahrbuch fur Mineralogie, Abhandlungen 162 (1990) 101-116
Space group: P 3
Cell volume: 90.819
Cell parameters: 4.434; 4.434; 5.334; 90; 90; 120;  

COD ID: 9009329
CIF file Formula: - H3 Mn3 O7 Si V0.5 -
Comments: Pertlik, F. The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5) California, USA Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 493-499
Space group: P 3
Cell volume: 276.759
Cell parameters: 8.1518; 8.1518; 4.8091; 90; 90; 120;  

COD ID: 9009505
CIF file Formula: - Cl2 Cu6.01 O10 V2 -
Comments: Starova, G. L.; Krivovichev, S. V.; Fundamensky, V. S.; Filatov, S. K. The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005 Mineralogical Magazine 61 (1997) 441-446
Space group: P 3
Cell volume: 295.61
Cell parameters: 6.375; 6.375; 8.399; 90; 90; 120;  

COD ID: 9009983
CIF file Formula: - Ni Ti0.875 -
Comments: Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T. Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy Materials Science Forum 495 (2005) 255-260
Space group: P 3
Cell volume: 81.878
Cell parameters: 4.2579; 4.2579; 5.2149; 90; 90; 120;  

COD ID: 9011952
CIF file Formula: - Cu0.3 Fe6.6 H36 K2 Na6 O68 S12 Zn0.1 -
Comments: Giacovazzo, C.; Scordari, F.; Todisco, A.; Menchetti, S. Crystal structure model for metavoltine from Sierra Gorda Tschermaks Mineralogische und Petrographische Mitteilungen 23 (1976) 155-166
Space group: P 3
Cell volume: 1442.66
Cell parameters: 9.575; 9.575; 18.17; 90; 90; 120;  

COD ID: 9012620
CIF file Formula: - Ca6 H6 O13 Si2 -
Comments: Yamnova, N. A.; Sarp, K.; Egorov-Tismenko Y K; Pushcharovskii, D. Y. Crystal structure of jaffeite Crystallography Reports 38 (1993) 464-467
Space group: P 3
Cell volume: 653.986
Cell parameters: 10.035; 10.035; 7.499; 90; 90; 120;  

COD ID: 9012761
CIF file Formula: - Fe0.48 H0.56 O -
Comments: Jansen, E.; Kyek, A.; Schafer, W.; Schwertmann, U. The structure of six-line ferrihydrite Sample: defective refinement Applied Physics A 74 (2002) S1004-S1006
Space group: P 3
Cell volume: 70.857
Cell parameters: 2.955; 2.955; 9.37; 90; 90; 120;  

COD ID: 9012775
CIF file Formula: - Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -
Comments: Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Zubkova, N. V.; Krotova, O. D.; Sorokina, N. I.; Pushcharovsky, D. Y. New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 41-49
Space group: P 3
Cell volume: 186.657
Cell parameters: 5.541; 5.541; 7.02; 90; 90; 120;  

COD ID: 9013194
CIF file Formula: - Br Cl2 Hg12 O6 Sb -
Comments: Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Vasilev, V. I. The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2 American Mineralogist 93 (2008) 1666-1669
Space group: P 3
Cell volume: 1593.03
Cell parameters: 13.56; 13.56; 10.004; 90; 90; 120;  

COD ID: 9014915
CIF file Formula: - Al90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90 -
Comments: Rastsvetaeva, R. K.; Chukanov, N. V. Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group Crystallography Reports 53 (2008) 981-988
Space group: P 3
Cell volume: 11495.4
Cell parameters: 12.913; 12.913; 79.605; 90; 90; 120;  

COD ID: 9016540
CIF file Formula: - H18 Na2.76 Nb3 O26 Si4 -
Comments: Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A. Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis The Canadian Mineralogist 50 (2012) 1265-1280
Space group: P 3
Cell volume: 598.946
Cell parameters: 9.937; 9.937; 7.004; 90; 90; 120;  


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