Crystallography Open Database
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Searching space group like 'P 3 1 c'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7113801 | CIF | C64 H73 N6 O3 Sc | P 3 1 c | 14.7505; 14.7505; 15.417 90; 90; 120 | 2904.99 | Lawrence, Sally C.; Ward, Benjamin D.; Dubberley, Stuart R.; Kozak, Christopher M.; Mountford, Philip Highly efficient ethylene polymerisation by scandium alkyls supported by neutral fac-?3 coordinated N3 donor ligandsElectronic supplementary information (ESI) available: experimental details, characterising data, crystallographic data for 5 and GPC data. See http://www.rsc.org/suppdata/cc/b3/b310867h/ Chemical Communications, 2003, 2880 |
7114654 | CIF | C21 H24 B2 F8 Fe N12 O3 | P 3 1 c | 12.6729; 12.6729; 10.9338 90; 90; 120 | 1520.74 | Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow Complex thermal expansion properties in a molecular honeycomb lattice Chem.Commun., 2014, 50, 7601 |
7114655 | CIF | C21 H24 B2 F8 Fe N12 O3 | P 3 1 c | 12.6653; 12.6653; 11.0258 90; 90; 120 | 1531.7 | Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow Complex thermal expansion properties in a molecular honeycomb lattice Chem.Commun., 2014, 50, 7601 |
7114656 | CIF | C21 H24 B2 F8 Fe N12 O3 | P 3 1 c | 12.6778; 12.6778; 10.9308 90; 90; 120 | 1521.49 | Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow Complex thermal expansion properties in a molecular honeycomb lattice Chem.Commun., 2014, 50, 7601 |
7114657 | CIF | C21 H24 B2 F8 Fe N12 O3 | P 3 1 c | 12.66; 12.66; 10.9359 90; 90; 120 | 1517.9 | Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow Complex thermal expansion properties in a molecular honeycomb lattice Chem.Commun., 2014, 50, 7601 |
7114783 | CIF | C28.67 H18 Cl0.67 F6 Ir0.67 N2 O2 | P 3 1 c | 14.692; 14.692; 21.452 90; 90; 120 | 4010.1 | Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying New, efficient electroluminescent materials based on organometallic Ir complexes Chemical Communications, 2001, 1494 |
7115786 | CIF | C28 H20 N4 Ni2 O2 S8 Zn | P 3 1 c | 27.525; 27.525; 24.215 90; 90; 120 | 15888 | Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks Chem.Commun., 2014, 50, 12772 |
7119725 | CIF | C38 H47 N9 O3 | P 3 1 c | 18.5004; 18.5004; 9.6325 90; 90; 120 | 2855.17 | Yan, Wenqing; Yu, Xiaopeng; Yan, Tao; Wu, Doufeng; Ning, Erlong; Qi, Yi; Han, Ying-Feng; Li, Qiaowei A triptycene-based porous hydrogen-bonded organic framework for guest incorporation with tailored fitting. Chemical communications (Cambridge, England), 2017, 53, 3677-3680 |
7119845 | CIF | C96 H120 Cl Cu16 N12 O14 S25 | P 3 1 c | 18.1253; 18.1253; 29.8697 90; 90; 120 | 8498.3 | Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K. Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball. Chemical communications (Cambridge, England), 2017, 53, 3334-3337 |
7122411 | CIF | C54.5 H50 Cl1.5 Cu3 N12.5 O10 | P 3 1 c | 15.064; 15.064; 29.042 90; 90; 120 | 5707.4 | Kintzel, Benjamin; Böhme, Michael; Liu, Junjie; Burkhardt, Anja; Mrozek, Jakub; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried Molecular electronic spin qubits from a spin-frustrated trinuclear copper complex. Chemical communications (Cambridge, England), 2018, 54, 12934-12937 |
7128214 | CIF | C32.5 H66 Cl7 Cr3 O6 | P 3 1 c | 12.435; 12.435; 15.058 90; 90; 120 | 2016.5 | Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko A trinuclear chromium(iii) chlorocarbyne. Chemical communications (Cambridge, England), 2021, 57, 5199-5202 |
7132856 | CIF | C27 H50 Mn3 N6 O53 P W9 | P 3 1 c | 18.9481; 18.9481; 29.4882 90; 90; 120 | 9168.8 | Liu, Fangcheng; Han, Shicheng; Dong, Liwei; Fang, Xikui Functionalized polyoxometalates enable fast ion transport in solid-state batteries at room temperature. Chemical communications (Cambridge, England), 2024, 60, 4198-4201 |
7158130 | CIF | C17 H17 Cl2 N O | P 3 1 c | 17.8125; 17.8125; 8.4655 90; 90; 120 | 2326.1 | Wang, Fang; Liu, Xiaoli; Wang, Lei Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide. Organic & biomolecular chemistry, 2021, 19, 6141-6146 |
7203337 | CIF | C66 H132 Fe7 N3 O33 | P 3 1 c | 15.7648; 15.7648; 21.1873 90; 90; 120 | 4560.19 | Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S. Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively Journal of Materials Chemistry, 2006, 16, 2690 |
7203338 | CIF | C63 H126 Fe7 N3 O33 | P 3 1 c | 15.5829; 15.5829; 20.893 90; 90; 120 | 4393.7 | Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S. Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively Journal of Materials Chemistry, 2006, 16, 2690 |
7204876 | CIF | C42 H42 Fe N14 O8 | P 3 1 c | 19.3682; 19.3682; 18.9884 90; 90; 120 | 6168.8 | Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit CrystEngComm, 2004, 6, 126 |
7205916 | CIF | Al2 N18.939 O2.061 Si9 Y6.313 | P 3 1 c | 9.84196; 9.84196; 10.68317 90; 90; 120 | 896.177 | Park, Woon Bae; Singh, Satendra Pal; Pyo, Myoungho; Sohn, Kee-Sun Y6+x/3Si11−yAlyN20+x−yO1−x+y:Re3+ (Re = Ce3+, Tb3+, Sm3+) phosphors identified by solid-state combinatorial chemistry Journal of Materials Chemistry, 2011, 21, 5780 |
7207957 | CIF | C16 H16.33 N5.83 O5.17 Tb0.5 | P 3 1 c | 19.5224; 19.5224; 8.4283 90; 90; 120 | 2781.87 | Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna CrystEngComm, 2012, 14, 3868 |
7207960 | CIF | C16 H16.33 Eu0.5 N5.83 O5.17 | P 3 1 c | 19.5543; 19.5543; 8.4847 90; 90; 120 | 2809.65 | Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna CrystEngComm, 2012, 14, 3868 |
7213110 | CIF | C25 H48 Cl N3 O9 | P 3 1 c | 15.7087; 15.7087; 7.4783 90; 90; 120 | 1598.14 | Lovell, Scott; Marquardt, Brian J.; Kahr, Bart Crystal violet’s shoulder Journal of the Chemical Society, Perkin Transactions 2, 1999, 2241 |
7215283 | CIF | C2 H5 Cu I N S | P 3 1 c | 11.7896; 11.7896; 8.1509 90; 90; 120 | 981.15 | Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S. Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks CrystEngComm, 2014, 16, 8224 |
7221741 | CIF | C51 H43 Co7 O43.5 | P 3 1 c | 16.2712; 16.2712; 17.2772 90; 90; 120 | 3961.3 | Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng [Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels CrystEngComm, 2015, 17, 7034 |
7221890 | CIF | C21 H12 N3 O7 P | P 3 1 c | 12.5995; 12.5995; 7.5587 90; 90; 120 | 1039.16 | Harvey, Benjamin Grant; Chafin, Andrew; Garrison, Michael; Cambrea, Lee; Groshens, Thomas J. Synthesis, Characterization, and Cure Chemistry of High Performance Phosphate Cyanate Ester Resins RSC Adv., 2015 |
7222169 | CIF | C33 H72 Br7 N3 Zn2 | P 3 1 c | 14.7234; 14.7234; 12.4759 90; 90; 120 | 2342.17 | Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry RSC Adv., 2015 |
7222994 | CIF | Ca Li O4 P | P 3 1 c | 7.5247; 7.5247; 9.9657 90; 90; 120 | 488.671 | Lightfoot, P.; Pienkowski, M.C.; Bruce, P.G.; Abrahams, I. Synthesis and structure of LiCaPO4 by combined x-ray and neutron powder diffraction Journal of Materials Chemistry, 1991, 1, 1061-1063 |
7235016 | CIF | B10 Ba3 H5 Li O21 | P 3 1 c | 10.1984; 10.1984; 8.7126 90; 90; 120 | 784.77 | Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material Journal of Materials Chemistry C, 2016, 4, 8189-8196 |
7245749 | CIF | C60 H28 O33 Zn6 | P 3 1 c | 16.5095; 16.5095; 24.5306 90; 90; 120 | 5790.4 | Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties CrystEngComm, 2022 |
7246996 | CIF | Cs3 I8 O24 Ta | P 3 1 c | 8.07743; 8.07743; 23.4262 90; 90; 120 | 1323.67 | Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F. New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction CrystEngComm, 2023, 25, 4364-4369 |
7248201 | CIF | C24.5 H67 Si7 Yb | P 3 1 c | 16.18; 16.18; 8.5692 90; 90; 120 | 1942.8 | Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A. Geometry and electronic structure of Yb(III)[CH(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub> from EPR and solid-state NMR augmented by computations. Physical chemistry chemical physics : PCCP, 2024, 26, 8734-8747 |
7704445 | CIF | C51 H78.5 F10 N5 O3.75 | P 3 1 c | 40.29774; 40.29774; 17.08786 90; 90; 120 | 24031.4 | Picci, Giacomo; Bazzicalupi, Carla; Coles, Simon J.; Gratteri, Paola; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Nocentini, Alessio; Orton, James B.; Caltagirone, Claudia Halogenated isophthalamides and dipicolineamides: the role of the halogen substituents in the anion binding properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 9231-9238 |
7713939 | CIF | C63 H69 B Cu F4 P3 S3 Si3 | P 3 1 c | 15.6433; 15.6433; 16.0019 90; 90; 120 | 3391.24 | Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions Dalton Transactions, 2023 |
8101046 | CIF | C12 H36 Bi2 I9 N3 | P 3 1 c | 9.908; 9.908; 23.42 90; 90; 120 | 1991 | Feldmann, Claus Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, [N(CH~3~)~4~]~3~Bi~2~I~9~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 465-466 |
8101307 | CIF | Ba3 N4 W | P 3 1 c | 18.473; 18.473; 10.427 90; 90; 120 | 3081.5 | Höhn, Peter; Kniep, Rüdiger Crystal structure of the high temperature phase of tribarium [tetranitridotungstate(VI)], HT-Ba~3~[WN~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 329-330 |
8101309 | CIF | Ba3 Mo N4 | P 3 1 c | 18.441; 18.441; 10.401 90; 90; 120 | 3063.2 | Höhn, Peter; Kniep, Rüdiger Crystal structure of the high temperature phase of tribarium [tetranitridomolybdate(VI)], HT-Ba~3~[MoN~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 327-328 |
8103065 | CIF | Ca7 F3 K O12 Si3 | P 3 1 c | 10.8161; 10.8161; 6.6469 90; 90; 120 | 673.43 | Krüger, Hannes Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides Zeitschrift für Kristallographie - Crystalline Materials, 2010, 225, 418-424 |
8103958 | CIF | Al2 Ca H8 O31 Pb3 Si10 | P 3 1 c | 8.555; 8.555; 20.19 90; 90; 120 | 1279.7 | Hesse, K.F.; Liebau, F.; Eulert, H.H. Wickenburgite, a double-layer silicate Pb3 Al[6](Ca[6] Al[4] Si10[4] O27 (H2 O)3) * (H2 O): crystal chemistry and thermal behaviour Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 542-552 |
8104096 | CIF | H2 Hg8 O17 Se4 | P 3 1 c | 5.8908; 5.8908; 31.048 90; 90; 120 | 933.067 | Weil, M. The crystal structures of Hg7 Se3 O13 H2 and Hg8 Se4 O17 H2 - two mixed-valent mercury oxoselenium coumpound with a multifarious crystal chemistry Zeitschrift fuer Kristallographie (149,1979-), 2004, 219, 621-629 |
8104596 | CIF | C6 H18 Cl N3 O7 S | P 3 1 c | 8.399; 8.399; 9.6208 90; 90; 120 | 587.76 | Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1319-1321 |
9001547 | CIF | Al Cl Cu6 H15 O19 S | P 3 1 c | 8.254; 8.254; 14.354 90; 90; 120 | 846.901 | Hawthorne, F. C.; Kimata, M.; Eby, R. K. The crystal structure of spangolite, a complex copper sulfate sheet mineral American Mineralogist, 1993, 78, 649-652 |
9001818 | CIF | Al K O4 Si | P 3 1 c | 5.157; 5.157; 8.706 90; 90; 120 | 200.513 | Cellai, D.; Bonazzi, P.; Carpenter, M. A. Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning American Mineralogist, 1997, 82, 276-279 |
9002510 | CIF | Bi12 Cr4 H6 O33 | P 3 1 c | 15.067; 15.067; 15.293 90; 90; 120 | 3006.61 | Burns, P. C.; Roberts, A. C.; Stirling, J. A. R.; Criddle, A. J.; Feinglos, M. N. Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, Brazil: Description and crystal structure American Mineralogist, 2000, 85, 1822-1827 |
9003567 | CIF | H35.72 K5.7 Mn10.86 Na9 O87.72 Si26.72 | P 3 1 c | 14.519; 14.519; 21.062 90; 90; 120 | 3845.06 | Krivovichev, S. V.; Yakovenchuk, V. N.; Armbruster, T.; Pakhomovsky, Y. A.; Weber, H.-P.; Depmeier, W. Synchrotron X-ray diffraction study of the structure of shafranovskite, K2Na3(Mn,Fe,Na)4[Si9(O,OH)27].nH2O, a rare manganese silicate from Kola peninsula, Russia American Mineralogist, 2004, 89, 1816-1821 |
9004308 | CIF | Al1.97 Ca Fe0.03 H3 O27 Pb3 Si10 | P 3 1 c | 8.56; 8.56; 20.19 90; 90; 120 | 1281.19 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement The Canadian Mineralogist, 1994, 32, 525-532 |
9004309 | CIF | Al1.81 Ca Fe0.19 H3 O27 Pb3 Si10 | P 3 1 c | 8.546; 8.546; 20.168 90; 90; 120 | 1275.61 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement The Canadian Mineralogist, 1994, 32, 525-532 |
9004841 | CIF | B1.09 Ca6 Fe0.59 O49.92 S2.24 | P 3 1 c | 11.188; 11.188; 21.91 90; 90; 120 | 2375.08 | Pushcharovsky, D. Y.; Lebedeva, Y. S.; Zubkova, N. V.; Pasero, M.; Bellezza, M.; Merlino, S.; Chukanov, N. V. The crystal structure of sturmanite Locality: Black Rock mine, Kuruman District, Kalahari manganese field, North Cape province, South Africa The Canadian Mineralogist, 2004, 42, 723-729 |
9005290 | CIF | Al12 Ca5 Cl2.9 F0.1 K2.36 Na8.64 O60 S3 Si12 | P 3 1 c | 12.8013; 12.8013; 21.4119 90; 90; 120 | 3038.74 | Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S. Crystal structure of afghanite, the eight-layer member of the cancrinite-group: evidence for long-range Si,Al ordering European Journal of Mineralogy, 1997, 9, 21-30 |
9005631 | CIF | Al18 Ca2.91 Cl0.99 H14 K5.37 Na15.5 O90.98 S4 Si18 | P 3 1 c | 12.88; 12.88; 31.761 90; 90; 120 | 4563.06 | Bonaccorsi, E.; Orlandi, P. Marinellite, a new feldspathoid of the cancrinite-sodalite group European Journal of Mineralogy, 2003, 15, 1019-1027 |
9011103 | CIF | Al2 Ca6 H66 O49.68 S3 | P 3 1 c | 11.26; 11.26; 21.48 90; 90; 120 | 2358.53 | Moore, A. E.; Taylor, H. F. W. Crystal structure of ettringite Acta Crystallographica, Section B, 1970, 26, 386-393 |
9011932 | CIF | Al5.88 Ca0.94 Cl0.48 H2 K1.6 Na4.8 O24.48 S3.54 Si6.12 | P 3 1 c | 12.859; 12.859; 10.697 90; 90; 120 | 1531.82 | Pobedimskaya, E. A.; Terent'eva, L. E.; Sapozhnikov, A. N.; Kashaev, A. A.; Dorokhova, G. I. Crystal structure of bystrite Doklady Akademii Nauk SSSR, 1991, 319, 873-878 |
9012057 | CIF | N3.99 Si2.925 | P 3 1 c | 7.766; 7.766; 5.615 90; 90; 120 | 293.275 | Kohatsu, I.; McCauley, J. W. Re-examination of the crystal structure of alpha-Si3N4 Materials Research Bulletin, 1974, 9, 917-920 |
9012685 | CIF | Al24 Ca2.665 Cl H10 K8.076 Na21.256 O118.45 S5 Si24 | P 3 1 c | 12.856; 12.856; 42.256 90; 90; 120 | 6048.26 | Bonaccorsi, E. The crystal structure of giuseppettite, the 16-layer member of the cancrinite- sodalite group Locality: Sacrofano, Biachella Valley, Latium, Italy Microporous and Mesoporous Materials, 2004, 73, 129-136 |
9012757 | CIF | Al5 H O8 | P 3 1 c | 5.6153; 5.6153; 8.8249 90; 90; 120 | 240.983 | Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R. Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum, Journal of Physics: Conference Series, 2008, 117, 012013-012013 |
9012922 | CIF | Al2 Ca6 H60.602 O49.496 S3 | P 3 1 c | 11.166881; 11.166881; 21.35366 90; 90; 120 | 2306.04 | Hartman, M. R.; Berliner, R. Investigation of the structure of ettringite by time-of-flight neutron powder diffraction techniques Locality: synthetic Cement and Concrete Research, 2006, 36, 364-370 |
9013139 | CIF | N4 Si3 | P 3 1 c | 7.765; 7.765; 5.6275 90; 90; 120 | 293.852 | Yang, P.; Fun, H.-K.; Rahman, I. A.; Saleh, M. I. Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice husk by Rietveld analysis Locality: synthetic Sample: Alpha phase Note: changed N4 location to match reported bond distances Ceramics International, 1995, 21, 137-142 |
9013996 | CIF | C0.31 H18 Al12 Ca2.23 Cl0.17 K2.16 Na11.61 O61.79 S2.7 Si12 | P 3 1 c | 12.892; 12.892; 21.34 90; 90; 120 | 3071.61 | Rastsvetaeva, R. K.; Ivanova, A. G.; Chukanov, N. V.; Verin, I. A. Crystal structure of alloriite Doklady Earth Sciences, 2007, 415, 815-819 |
9014830 | CIF | Al K0.985 O4 Si | P 3 1 c | 5.1665; 5.1665; 8.7248 90; 90; 120 | 201.687 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 298 K American Mineralogist, 2010, 95, 1027-1034 |
9014956 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3177; 11.3177; 9.6293 90; 90; 120 | 1068.17 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa American Mineralogist, 2012, 97, 1749-1763 |
9014995 | CIF | Al K0.983 O4 Si | P 3 1 c | 5.156; 5.156; 8.745 90; 90; 120 | 201.334 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 150 K American Mineralogist, 2010, 95, 1027-1034 |
9015084 | CIF | Al2 Ca6 H64 O50 S3 | P 3 1 c | 11.229; 11.229; 21.478 90; 90; 120 | 2345.34 | Goetz-Neunhoeffer F; Neubauer, J. Refined ettringite (Ca6Al2(SO4)3(OH)12*26H2O) structure for quantitative X-ray diffraction analysis Powder Diffraction, 2006, 21, 4-11 |
9015139 | CIF | Al K0.985 O4 Si | P 3 1 c | 5.1627; 5.1627; 8.7392 90; 90; 120 | 201.723 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 225 K American Mineralogist, 2010, 95, 1027-1034 |
9015502 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.2984; 11.2984; 9.6051 90; 90; 120 | 1061.86 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
9015536 | CIF | Al K0.984 O4 Si | P 3 1 c | 5.1531; 5.1531; 8.7523 90; 90; 120 | 201.275 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 100 K American Mineralogist, 2010, 95, 1027-1034 |
9016271 | CIF | Al K0.987 O4 Si | P 3 1 c | 5.1588; 5.1588; 8.7383 90; 90; 120 | 201.398 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 200 K American Mineralogist, 2010, 95, 1027-1034 |
9016430 | CIF | Al K0.982 O4 Si | P 3 1 c | 5.1627; 5.1627; 8.7352 90; 90; 120 | 201.631 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 250 K American Mineralogist, 2010, 95, 1027-1034 |
9016450 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3382; 11.3382; 9.6584 90; 90; 120 | 1075.29 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa American Mineralogist, 2012, 97, 1749-1763 |
9016484 | CIF | Al K0.98 O4 Si | P 3 1 c | 5.1589; 5.1589; 8.7438 90; 90; 120 | 201.532 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 175 K American Mineralogist, 2010, 95, 1027-1034 |
9016533 | CIF | Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12 | P 3 1 c | 12.7961; 12.7961; 21.4094 90; 90; 120 | 3035.92 | Ballirano, P.; Bosi, F. Thermal behavior of afghanite, an ABABACAC member of the cancrinite group American Mineralogist, 2012, 97, 630-640 |
9016578 | CIF | C H6.96 Al6 K0.36 Na7.561 O30.48 Si6 | P 3 1 c | 12.6678; 12.6678; 10.3401 90; 90; 120 | 1437 | Khomyakov, A. P.; Camara, F.; Sokolova, E. Carbobystrite, Na8[Al6Si6O24](CO3)*4H2O, a new cancrinite-group mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure The Canadian Mineralogist, 2010, 48, 291-300 |
9016619 | CIF | Al K0.986 O4 Si | P 3 1 c | 5.1652; 5.1652; 8.7326 90; 90; 120 | 201.766 | Gatta, G. D.; Angel, R. J.; Carpenter, M. A. Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 275 K American Mineralogist, 2010, 95, 1027-1034 |
9017146 | CIF | Al2 Ca6 H66 O51 S3 | P 3 1 c | 11.171; 11.171; 21.364 90; 90; 120 | 2308.86 | Gatta, G. D.; Halenius, U.; Bosi, F.; Canadillas-Delgado L; Fernandez-Diaz M T Minerals in cement chemistry: A single-crystal neutron diffraction study of ettringite, Ca6Al2(SO4)3(OH)12·27H2O American Mineralogist, 2019, 104, 73-78 |
9017152 | CIF | Al1.97 Ca Fe0.03 H6 O30 Pb3 Si10 | P 3 1 c | 8.56; 8.56; 20.19 90; 90; 120 | 1281.19 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement The Canadian Mineralogist, 1994, 32, 525-532 |
9017153 | CIF | Al1.81 Ca Fe0.19 H6 O30 Pb3 Si10 | P 3 1 c | 8.546; 8.546; 20.168 90; 90; 120 | 1275.61 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement The Canadian Mineralogist, 1994, 32, 525-532 |
9017163 | CIF | Al0.338 Fe2.662 H20.001 K O30 P6 | P 3 1 c | 9.044; 9.044; 16.706 90; 90; 120 | 1183.38 | Hu, Z. B.; Wang, C. X.; Tong, C. Q.; Huang, Y. X.; Pan, Y.; Mi, J. X. Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O The Canadian Mineralogist, 2013, 51, 223-232 |
9017418 | CIF | C2 H Na O7 Pb2 | P 3 1 c | 5.268; 5.268; 13.48 90; 90; 120 | 323.975 | Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y. Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH) Crystallography Reports, 2002, 47, 217-222 |
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