Crystallography Open Database
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Searching space group like 'P 31 2 1'
COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 7233702 | CIF | B7 Li4 O14 Rb3 | P 31 2 1 | 6.8765; 6.8765; 25.923 90; 90; 120 | 1061.6 | Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6) Journal of Materials Chemistry C, 2014, 2, 4133-4141 |
| 7234120 | CIF | C68 H82 Cl2 N6 O7 Pt2 | P 31 2 1 | 31.521; 31.521; 7.118 90; 90; 120 | 6124.8 | Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes Journal of Materials Chemistry C, 2015, 3, 2350-2357 |
| 7235113 | CIF | Ba Cu3 D2 O10 V2 | P 31 2 1 | 5.917849; 5.917849; 20.75995 90; 90; 120 | 629.629 | David Boldrin; Kevin Knight; Andrew S. Wills Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2 Journal of Materials Chemistry C, 2016, 4, 10315-10322 |
| 7241946 | CIF | C54 H38 N4 O14 Zn3 | P 31 2 1 | 14.0232; 14.0232; 25.446 90; 90; 120 | 4333.6 | Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione CrystEngComm, 2021, 23, 1243-1250 |
| 7242481 | CIF | H6 Na3 O27 S6 Y3 | P 31 2 1 | 6.8191; 6.8191; 12.7035 90; 90; 120 | 511.57 | Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization CrystEngComm, 2021, 23, 2945-2951 |
| 7245833 | CIF | C24 H24 Cl6 Ga2 N4 | P 31 2 1 | 10.0853; 10.0853; 24.8734 90; 90; 120 | 2191.01 | Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y. Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands CrystEngComm, 2022 |
| 7249643 | CIF | C18 H32 Cu2 N8 O10 | P 31 2 1 | 8.56884; 8.56884; 30.61946 90; 90; 120 | 1947.03 | Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm, 2024 |
| 7249644 | CIF | C18 H32 Cu2 N8 O10 | P 31 2 1 | 8.61755; 8.61755; 30.5882 90; 90; 120 | 1967.22 | Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm, 2024 |
| 7249646 | CIF | C18 H26 Cu2 N8 O7 | P 31 2 1 | 8.3611; 8.3611; 30.45 90; 90; 120 | 1843.5 | Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm, 2024 |
| 7249648 | CIF | C25.5 H54 Cu2 N8 O13.5 | P 31 2 1 | 13.3717; 13.3717; 36.41 90; 90; 120 | 5638 | Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judas, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matkovic-Calogovic, Dubravka Robustness and stability of the L-carnosine copper(II) dimer. Changes in the copper coordination sphere upon heating/solvent substitution CrystEngComm, 2024 |
| 7701633 | CIF | C23.05 H22.1 Au Cl2.3 N3 P S0.35 | P 31 2 1 | 10.9905; 10.9905; 34.6093 90; 90; 120 | 3620.41 | Seifert, Tim P.; Bestgen, Sebastian; Feuerstein, Thomas J.; Lebedkin, Sergei; Krämer, Felix; Fengler, Christian; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W. Phosphine-substituted 1,2,3-triazoles as P,C- and P,N-ligands for photoluminescent coinage metal complexes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15427-15434 |
| 7702132 | CIF | C18 H21 Br Cl2 N2 Zn | P 31 2 1 | 14.1615; 14.1615; 22.7112 90; 90; 120 | 3944.48 | Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5955-5964 |
| 7702829 | CIF | C42 H51 B2 Cu2 N12 O14 | P 31 2 1 | 12.02; 12.02; 57.228 90; 90; 120 | 7161 | Hammes, Brian S.; Luo, Xuemei; Chohan, Balwant S.; Carrano, Mary W.; Carrano, Carl J. Metal complexes of 3-carboxyethyl substituted trispyrazolylborates: interactions with the ester carbonyl oxygens Journal of the Chemical Society, Dalton Transactions, 2002, 3374 |
| 7702987 | CIF | C56 H56 Al Cl4 Ga N4 P2 | P 31 2 1 | 12.6494; 12.6494; 58.6453 90; 90; 120 | 8126.5 | Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W. Neutral and cationic enantiopure group 13 iminophosphonamide complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681 |
| 7702988 | CIF | C56 H56 Al Cl4 Ga N4 P2 | P 31 2 1 | 12.6047; 12.6047; 58.597 90; 90; 120 | 8062.5 | Goswami, Bhupendra; Yadav, Ravi; Schoo, Christoph; Roesky, Peter W. Neutral and cationic enantiopure group 13 iminophosphonamide complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 675-681 |
| 7705960 | CIF | Al B5 Cs2 O10 | P 31 2 1 | 7.029; 7.029; 20.97 90; 90; 120 | 897.3 | Baiheti, Tuohetijiang; Han, Shujuan; Jin, Wenqi; Yang, Zhihua; Pan, Shilie Cs<sub>2</sub>AlB<sub>5</sub>O<sub>10</sub>: a short-wavelength nonlinear optical crystal with moderate second harmonic generation response. Dalton transactions (Cambridge, England : 2003), 2021, 50, 822-825 |
| 7706253 | CIF | C21 H22 N6 | P 31 2 1 | 9.0638; 9.0638; 22.3036 90; 90; 120 | 1586.81 | Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768 |
| 7706255 | CIF | C27 H34 Cl2 Mn2 N8 O2 | P 31 2 1 | 17.344; 17.344; 8.807 90; 90; 120 | 2294.3 | Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15758-15768 |
| 7707829 | CIF | C52 H40 Cd N10 O4 | P 31 2 1 | 19.293; 19.293; 11.797 90; 90; 120 | 3802.8 | Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A. Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes. Dalton transactions (Cambridge, England : 2003), 2021, 50, 10041-10049 |
| 7709613 | CIF | C31 H39 Al I2 N2 | P 31 2 1 | 15.276; 15.276; 12.183 90; 90; 120 | 2462.1 | Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold Dalton Transactions, 2022 |
| 7710249 | CIF | C54 H84 Cl9 In N6 | P 31 2 1 | 17.0073; 17.0073; 39.207 90; 90; 120 | 9821.2 | Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang 0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation Dalton Transactions, 2022 |
| 7711301 | CIF | C18 H14 Gd N O8 | P 31 2 1 | 13.7512; 13.7512; 22.9369 90; 90; 120 | 3756.2 | Zhang, Xiao-Nuan; Chen, Bo-Chen; Zhang, Jia-Li; Zhang, Jialin; Liu, Sui-Jun; Wen, He-Rui Anionic lanthanide metal-organic frameworks with magnetism, fluorescence, proton conductivity and selective adsorption of cationic dye Dalton Transactions, 2022 |
| 7712495 | CIF | C28 H32 N2 O | P 31 2 1 | 10.5622; 10.5622; 37.6815 90; 90; 120 | 3640.55 | Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions Dalton Transactions, 2023 |
| 7713483 | CIF | C42 H62 Cl6 N2 O6 V | P 31 2 1 | 15.2509; 15.2509; 18.9173 90; 90; 120 | 3810.49 | Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes Dalton Transactions, 2023 |
| 7713659 | CIF | C31 H42 B Cl F4 Fe N2 O2 P2 | P 31 2 1 | 20.046; 20.046; 7.9727 90; 90; 120 | 2774.5 | Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand Dalton Transactions, 2023 |
| 7714460 | CIF | C79 H50 N6 O32 S3 Zr6 | P 31 2 1 | 23.3248; 23.3248; 32.71 90; 90; 120 | 15411.6 | Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks Dalton Transactions, 2023 |
| 7717074 | CIF | C12 H10 Cl Cu N4 O6 | P 31 2 1 | 8.5947; 8.5947; 17.7141 90; 90; 120 | 1133.21 | Kuilya, Hemrupa; Das, Pranjal; Basak, Swati; Sarma, Debajit; Mazumdar, Pradyumna; Choudhury, Diganta; Kalita, Apurba Effect of ligand substituents on the reactivity pathways of copper(II) complexes towards electrocatalytic water oxidation. Dalton transactions (Cambridge, England : 2003), 2024, 53, 17547-17553 |
| 8102259 | CIF | C12 H22 N4 O7 Zn | P 31 2 1 | 14.803; 14.803; 7.0721 90; 90; 120 | 1342.1 | Ming Lv Crystal structure of poly[[bis(2-methyl-1H-imidazole)-zinc(II)-succinato] trihydrate], Zn(C4H4O4)(C4H6N2)2 · 3H2O Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 131 |
| 8103470 | CIF | B O4 P | P 31 2 1 | 4.4605; 4.4605; 9.9 90; 90; 120 | 170.582 | Haines, J.; Chateau, C.; Astier, R.; Fertey, P.; Cambon, O. Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 32-37 |
| 8103513 | CIF | O2 Si | P 31 2 1 | 4.583; 4.583; 5.189 90; 90; 120 | 94.387 | Kim-Zajonz, J.; Werner, S.; Schulz, H. High pressure single crystal X-ray diffraction study on alpha-quartz Zeitschrift fuer Kristallographie (149,1979-), 1999, 214, 324-330 |
| 8103599 | CIF | H12 I6 N4 Zn | P 31 2 1 | 9.307; 9.307; 17.168 90; 90; 120 | 1287.86 | Tebbe, K. F. Untersuchungen von Polyhalogeniden, die Kristallstruktur des Tetramminzink(II)-Hexaiodids (Zn (N H3) 4) (I3)2 Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 297-306 |
| 8103887 | CIF | Fe O4 P | P 31 2 1 | 5.13461; 5.13461; 11.3465 90; 90; 120 | 259.064 | Haines, J.; Cambon, O.; Hull, S. Neutron diffraction study of quartz-type Fe P O4: high-temperature behavior and alpha-beta phase transition Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 193-200 |
| 8103888 | CIF | As B O4 | P 31 2 1 | 4.547; 4.547; 10.304 90; 90; 120 | 184.496 | Haines, J.; Cambon, O.; Chateau, C.; Astier, R.; Fertey, P. Crystal structures of alpha-quartz homeotypes boron phosphate and boron arsenate: structure - property relationships Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 32-37 |
| 8104291 | CIF | Al As O4 | P 31 2 1 | 5.067; 5.067; 11.258 90; 90; 120 | 250.319 | Baumgartner, O.; Preisinger, A.; Behmer, M. Die Kristallstruktur von Al As O4 bei 20 C, 500 C und 750 C Zeitschrift fuer Kristallographie (149,1979-), 1989, 187, 125-131 |
| 8104321 | CIF | Mn2 O7 Sb2 | P 31 2 1 | 7.1913; 7.1913; 17.402 90; 90; 120 | 779.372 | Scott, H.G. Refinement of the crystal structure of the manganous antimonate Mn2 Sb2 O7 with neutron powder diffraction data by the profile decomposition method Zeitschrift fuer Kristallographie (149,1979-), 1990, 190, 41-46 |
| 9000874 | CIF | Ca0.84 Ce0.595 Fe Na0.31 Nb0.524 O14 Ta0.316 Th0.265 Ti2.16 Zr2 | P 31 2 1 | 7.287; 7.287; 16.886 90; 90; 120 | 776.524 | Mazzi, F.; Munno, R. Calciobetafite (new mineral of the pyrochlore group) and related minerals from Campi Flegrei, Italy; crystal structures of polymignyte and zirkelite: comparison with pyrochlore and zirconolite Note: B(2,3) for Ti61 has been changed to satisfy symmetry constraints American Mineralogist, 1983, 68, 262-276 |
| 9007659 | CIF | Ni53 S54 | P 31 2 1 | 10.29; 10.29; 15.993 90; 90; 120 | 1466.53 | Collin, G.; Chavant, C.; Comes, R. Structure and planar faults in the defective NiAs-type compound Ni17S18 Acta Crystallographica, Section B, 1983, 39, 289-296 |
| 9007717 | CIF | Ca2 Na2 O9 Si3 | P 31 2 1 | 10.464; 10.464; 13.168 90; 90; 120 | 1248.67 | Ohsato, H.; Takeuchi, Y.; Maki, I. Structure of Na4Ca4[Si6O18] Acta Crystallographica, Section C, 1986, 42, 934-937 |
| 9007720 | CIF | Ca3.8 Na4.4 O18 Si6 | P 31 2 1 | 10.464; 10.464; 13.176 90; 90; 120 | 1249.42 | Fischer, R. X.; Tillmanns, E. Revised data for combeite, Na2Ca2Si3O9 Acta Crystallographica, Section C, 1987, 43, 1852-1854 |
| 9008050 | CIF | Al As O4 | P 31 2 1 | 5.03; 5.03; 11.22 90; 90; 120 | 245.844 | Machatschki, F. Die kristallstruktur von tiefquarz SiO2 und aluminiumorthoarsenat AlAsO4 Zeitschrift fur Kristallographie, 1936, 94, 222-230 |
| 9008088 | CIF | Bi O4 P | P 31 2 1 | 6.966; 6.966; 6.46 90; 90; 120 | 271.475 | Mooney-Slater R C L Polymorphic forms of bismuth phosphate Zeitschrift fur Kristallographie, 1962, 117, 371-385 |
| 9008093 | CIF | O2 Si | P 31 2 1 | 5.01; 5.01; 5.47 90; 90; 120 | 118.903 | Arnold, H. Die struktur des hochquarzes Note: sample is at T = 650 deg C, under the false assumption that it is twinned Zeitschrift fur Kristallographie, 1962, 117, 467-469 |
| 9008400 | CIF | Al As O4 | P 31 2 1 | 5.028; 5.028; 11.228 90; 90; 120 | 245.824 | Sowa, H. The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa Zeitschrift fur Kristallographie, 1991, 194, 291-304 |
| 9008401 | CIF | Al As O4 | P 31 2 1 | 5.03; 5.03; 11.234 90; 90; 120 | 246.151 | Sowa, H. The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa, in the diamond anvil cell Zeitschrift fur Kristallographie, 1991, 194, 291-304 |
| 9008402 | CIF | Al As O4 | P 31 2 1 | 4.945; 4.945; 11.135 90; 90; 120 | 235.805 | Sowa, H. The crystal structure of AlAsO4 at high pressure Note: P = 1.81 GPa Zeitschrift fur Kristallographie, 1991, 194, 291-304 |
| 9008403 | CIF | Al As O4 | P 31 2 1 | 4.873; 4.873; 11.071 90; 90; 120 | 227.672 | Sowa, H. The crystal structure of AlAsO4 at high pressure Note: P = 2.99 GPa Zeitschrift fur Kristallographie, 1991, 194, 291-304 |
| 9008404 | CIF | Al As O4 | P 31 2 1 | 4.799; 4.799; 11.003 90; 90; 120 | 219.454 | Sowa, H. The crystal structure of AlAsO4 at high pressure Note: P = 4.87 GPa Zeitschrift fur Kristallographie, 1991, 194, 291-304 |
| 9009666 | CIF | O2 Si | P 31 2 1 | 4.9158; 4.9158; 5.4091 90; 90; 120 | 113.199 | Gualtieri, A. F. Accuracy of XRPD QPA using the combined Rietveld-RIR method Journal of Applied Crystallography, 2000, 33, 267-278 |
| 9009779 | CIF | Al0.96 Ca1.538 O14 Th0.302 Ti2.6 Zr2.6 | P 31 2 1 | 7.228; 7.228; 16.805 90; 90; 120 | 760.336 | Grey, I. E.; Mumme, W. G.; Ness, T. J.; Roth, R. S.; Smith, K. L. Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Locality: synthetic Sample: T = 123 K Note: polytype Zirconolite-3T Journal of Solid State Chemistry, 2003, 174, 285-295 |
| 9010240 | CIF | Ca3 Mg0.017 Mn O14 Sb3.983 | P 31 2 1 | 7.282; 7.282; 17.604 90; 90; 120 | 808.432 | Bonazzi, P.; Bindi, L. The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with pyrochlore Locality: Langban mine, Varmland, Sweden American Mineralogist, 2007, 92, 947-953 |
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