Crystallography Open Database

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1543136 CIFC2 Bi Cl6 K N2R -3 m7.8372; 7.8372; 20.9938
90; 90; 120
1116.72Wei, Fengxia; Deng, Zeyu; Sun, Shijing; Xie, Fei; Kieslich, Gregor; Evans, Donald M.; Carpenter, Michael A.; Bristowe, Paul D.; Cheetham, Anthony K.
The synthesis, structure and electronic properties of a lead-free hybrid inorganic‒organic double perovskite (MA)2KBiCl6(MA = methylammonium)
Mater. Horiz., 2016, 3, 328
1544390 CIFBa8 O22 V7R -3 m5.7841; 5.7841; 57.074
90; 90; 120
1653.6Liu, G.; Greedan, J.E.
The synthesis, structure, and characterization of a novel 24-layer oxide: Ba8V7O22 with V(III), V(IV), and V(V)
Journal of Solid State Chemistry, 1994, 108, 371-380
1544392 CIFD2.32 Mg2.45 O6 Si1.19R -3 m2.97065; 2.97065; 13.9033
90; 90; 120
106.256Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.
Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study
Physics and Chemistry of Minerals, 2016, 43, 267-475
1544393 CIFD2.22 Mg2.28 O6 Si1.31R -3 m2.97065; 2.97065; 13.9033
90; 90; 120
106.256Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S.
Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model
Physics and Chemistry of Minerals, 2016, 43, 267-475
1544456 CIFAg O2 YbR -3 m3.372; 3.372; 18.214
90; 90; 120
179.35Saito, A.; Sawaguchi, N.; Sasaki, M.
Synthesis and crystal structure of AgYbO2
Journal of the Ceramic Society of Japan, 2008, 116, 118-120
1544466 CIFAl7.9 N8.1 O1.9 Si1.1R -3 m3.05991; 3.05991; 71.454
90; 90; 120
579.395Banno, H.; Asaka, T.; Fukuda, K.
Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9)
Journal of the Ceramic Society of Japan, 2014, 122, 281-287
1544498 CIFC7 Al7.52 Si0.48 ZrR -3 m3.32214; 3.32214; 57.8236
90; 90; 120
552.677Iwata, T.; Hattori, E.; Sugiura, K.; Hashimoto, S.; Nakano, H.; Fukuda, K.
Syntheses and crystal structures of Si-bearing layered carbides ZrAl8C7 and ZrAl4C4
Journal of the Ceramic Society of Japan, 2009, 117, 37-41
1544726 CIFBa3 O8 P2R -3 m5.6038; 5.6038; 21
90; 90; 120
571.1Sugiyama, K.; Tokonami, M.
The crystal structure refinements of the strontium and barium orthophosphates
Mineralogical Journal, 1990, 15, 141-146
1544727 CIFO8 P2 Sr3R -3 m5.3901; 5.3901; 19.785
90; 90; 120
497.81Sugiyama, K.; Tokonami, M.
The crystal structure refinements of the strontium and barium orthophosphates
Mineralogical Journal, 1990, 15, 141-146
1546733 CIFAg AlR -3 m2.97545; 2.97545; 26.88393
90; 90; 120
206.124Zhang, Zezhong; Bourgeois, Laure; Rosalie, Julian M.; Medhekar, Nikhil V.
The bi-layered precipitate phase ζ in the Al-Ag alloy system
Acta Materialia, 2017, 132, 525
1550380 CIFC42 H30 O14 Ti3R -3 m25.8366; 25.8366; 13.6675
90; 90; 120
7901.2Feng, Xuanyu; Song, Yang; Chen, Justin S.; Li, Zhe; Chen, Emily Y.; Kaufmann, Michael; Wang, Cheng; Lin, Wenbin
Cobalt-Bridged Secondary Building Units in a Titanium Metal-Organic Framework Catalyze Cascade Reduction of N-Heteroarenes
Chemical Science, 2019
1550666 CIFC14 H9 Cu N O4R -3 m18.6355; 18.6355; 34.4019
90; 90; 120
10346.5Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Chemical Science, 2019
1550672 CIFC14 H9 N O4 ZnR -3 m18.4038; 18.4038; 34.5026
90; 90; 120
10120.4Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Chemical Science, 2019
2000778 CIF
Paper
Er K Te2R -3 m4.41; 4.41; 24.27
90; 90; 120
408.8Keane, P. M.; Ibers, J. A.
Structure of KErTe~2~
Acta Crystallographica Section C, 1992, 48, 1301-1303
2001032 CIF
Paper
K2 Mn O6 Se2R -3 m5.615; 5.615; 18.667
90; 90; 120
509.69Wildner, M.
Structure of K~2~Mn(SeO~3~)~2~, a further buetschliite-type selenite
Acta Crystallographica Section C, 1992, 48, 595
2002091 CIF
Paper
C38 H56 Cu2 N2 O8R -3 m31.902; 31.902; 11.111
90; 90; 120
9793Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.
Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline
Acta Crystallographica Section C, 1993, 49, 144-147
2009516 CIF
Paper
Fe Lu O4 ZnR -3 m3.4185; 3.4185; 25.463
90; 90; 120
257.7Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.
Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)
Acta Crystallographica Section C, 1994, 50, 332-336
2009518 CIF
Paper
Fe Lu O8 Zn5R -3 m3.3291; 3.3291; 56.56
90; 90; 120
542.87Isobe, M.; Kimizuka, N.; Nakamura, M.; Mohri, T.
Structures of LuFeO~3~(ZnO)~<i>m~</i> (<i>m</i> =1, 4, 5 and 6)
Acta Crystallographica Section C, 1994, 50, 332-336
2017179 CIF
HKL
Paper
H4 K2 Mn3 O12 P4R -3 m5.4489; 5.4489; 35.4321
90; 90; 120
911.06Hamchaoui, Farida; Alonzo, Véronique; Roisnel, Thierry; Rebbah, Houria; Le Fur, Eric
Dipotassium trimanganese(II) tetrakis(hydrogenphosphite), K~2~[Mn~3~(HPO~3~)~4~]
Acta Crystallographica Section C, 2009, 65, i33-i35
2101456 CIF
Paper
Pu0.6 U0.4R -3 m10.68535; 10.68535; 10.68535
89.7364; 89.7364; 89.7364
1219.98Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.
Structure of ζ-phase plutonium‒uranium
Acta Crystallographica Section B, 1996, 52, 32-37
2101457 CIF
Paper
Pu0.6 U0.4R -3 m15.0765; 15.0765; 18.5925
90; 90; 120
3659.9Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H.
Structure of ζ-phase plutonium‒uranium
Acta Crystallographica Section B, 1996, 52, 32-37
2103392 CIF
Paper
C24 H54 N8R -3 m14.555; 14.555; 11.446
90; 90; 120
2099.95Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103394 CIF
Paper
C15 H9 O9 Os3 RhR -3 m14.411; 14.411; 16.658
90; 90; 120
2996Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
2103406 CIF
Paper
C26 H56 Au B Cl6 F4 P2R -3 m11.308; 11.308; 52.56
90; 90; 120
5820.46Marsh, Richard E.
The space groups of point group <i>C</i>~3~: some corrections, some comments
Acta Crystallographica Section B, 2002, 58, 893-899
4001823 CIFC9 H10 B5 Cu O5R -3 m18.6953; 18.6953; 39.1379
90; 90; 120
11846.6Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.
Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities
Chemistry of Materials, 2013, 25, 3539
4121692 CIFC20 H8 Cu2 N2 O11R -3 m18.6895; 18.6895; 37.6886
90; 90; 120
11400.8Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin
A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.
Journal of the American Chemical Society, 2014, 136, 6207-6210
4344913 CIFAl Na O2R -3 m2.868; 2.868; 15.88
90; 90; 120
113.1Reid, A.F.; Ringwood, A.E.
High-pressure NaAlO2, and alpha-NaFeO2 isotype
Inorganic Chemistry, 1968, 7, 443-445
4514295 CIFC30 H30 Cd2 Cl9 N20 O11.17R -3 m38.586; 38.586; 29.661
90; 90; 120
38245Yao, Yu-Qing; Zhang, Ying-Jie; Zhang, Yun-Qian; Tao, Zhu; Ni, Xin-Long; Wei, Gang
Multiple Efficient Fluorescence Emission from Cucurbit[10]uril-[Cd4Cl16]8‒Based Pillared Diamond Porous Supramolecular Frameworks.
ACS applied materials & interfaces, 2017, 9, 40760-40765
5910049 CIFCu PtR -3 m3.77; 3.77; 3.77
90.54; 90.54; 90.54
53.575Wyckoff, R. W. G.
Page 225 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & http://cst-www.nrl.navy.mil/lattice/
The second edition of Structure of Crystals, 1931, 225-225
5910127 CIFCl2 NiR -3 m6.13; 6.13; 6.13
33.36; 33.36; 33.6
62.291Wyckoff, R. W. G.
Pages 233 & 238 from the second edition of Structure of Crystals by Wyckoff R W G.published by The Chemical Catalog Company, INC, New York in 1931.
The second edition of Structure of Crystals, 1931, 233-238
5910154 CIFCl2 ZnR -3 m6.31; 6.31; 6.31
34.48; 34.48; 34.48
71.831Wyckoff, R. W. G.
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
The second edition of Structure of Crystals, 1931, 233-239
6000111 CIFBa2 La0.66 O8 V2R -3 m5.7527; 5.7527; 21.0473
90; 90; 120
603.22Skakle, J. M. S.; Coats, A. M.; Marr, J.
The crystal structures of Ba2R2/3V2O8 (R = La, Nd) and Sr2La2/3V2O8; palmierite derivatives
Journal of Materials Science, 2000, 35, 3251-3256
6000144 CIFCu5.59 Ho2 P4.5R -3 m3.976; 3.976; 40.554
90; 90; 120
555.21Mozharivskyj, Y.; Kuz'ma, Y. B.
Ternary phosphide Ho2Cu6-xP5-y, its crystal structure, and REm+n(Cu2P3)(m)(Cu4P2)(n) relationship with other rhombohedral rare-earth copper phosphides
Journal of Solid State Chemistry, 2000, 151, 150-156
6000159 CIFB12 Re13 Tb8R -3 m10.6233; 10.6233; 14.318
90; 90; 120
1399.37Mykhalenko, S. I.; Kuz'ma, Y. B.
The Tb-Re-B system: Phase equilibria and crystal structures
Polish Journal of Chemistry, 2000, 74, 163-171
6000241 CIFIn2 O8 Zn5R -3 m3.3285; 3.3285; 58.127
90; 90; 120
557.71Pitschke, W.; Koumoto, K.
Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3
Powder Diffraction, 1999, 14, 213-218
6000242 CIFIn1.6 O8 Y0.4 Zn5R -3 m3.3505; 3.3505; 57.863
90; 90; 120
562.54Pitschke, W.; Koumoto, K.
Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3
Powder Diffraction, 1999, 14, 213-218
6000359 CIFLa7 Mo7 O30R -3 m17.0051; 17.0051; 6.8607
90; 90; 90
1983.93Goutenoire, F.; Retoux, R.; Suard, E.; Lacorre, P.
Ab initio determination of the novel perovskite-related structure of La7Mo7O30 from powder diffraction
Journal of Solid State Chemistry, 1999, 142, 228-235
6000432 CIFCu7.65 P8 Y3R -3 m3.968; 3.968; 60.14
90; 120; 90
820.05Kuz'ma, Y. B.; Chykhrij, S. I.; Mozharivsky, Y. A.; Tremel, W.; Demchyna, R. O.
New ternary phosphides Ln(3-x)Cu(8-y)P(8) (Ln=Y, Gd, Tb, Dy, Ho, Er, Tm) and their crystal structure
Journal of Alloys and Compounds, 1998, 278, 169-174
6000688 CIFN2 Sr ZrR -3 m3.373; 3.373; 17.6756
90; 90; 120
174.16Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.
Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2
Inorganic Chemistry, 1996, 35, 7608-7613
6000689 CIFHf N2 SrR -3 m3.3448; 3.3448; 17.6779
90; 90; 120
171.28Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.
Synthesis and structure of two new layered ternary nitrides, SrZrN2 and SrHfN2
Inorganic Chemistry, 1996, 35, 7608-7613
6000743 CIFK N O2R -3 m5.0279; 5.0279; 10.0559
90; 90; 120
220.15Onoda-Yamamuro, N.; Honda, H.; Ikeda, R.; Yamamuro, O.; Matsuo, T.; Oikawa, K.; Kamiyama, T.; Izumi, F.
Neutron powder diffraction study of the low-temperature phases of KNO2
Journal of Physics: Condensed Matter, 1998, 10, 3341-3351
6000763 CIFCa2 NR -3 m3.6287; 3.6287; 19.0921
90; 90; 120
217.72Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.
Dicalcium nitride, Ca2N - a 2D "excess electron" compound; synthetic routes and crystal chemistry
Journal of Materials Chemistry, 2000, 10, 1635-1641
7043151 CIFC10 H7 Cu N O5R -3 m18.604; 18.604; 37.123
90; 90; 120
11127Gupta, Anoop K.; De, Dinesh; Bharadwaj, Parimal K.
A NbO type Cu(II) metal‒organic framework showing efficient catalytic activity in Friedländer and Henry reactions
Dalton Trans., 2017
7045347 CIFC12 H18 B12 Cl12 Fe N6R -3 m11.3371; 11.3371; 23.9716
90; 90; 120
2668.28Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian
New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes
Dalton Transactions, 2018
7119826 CIFC193.68 H54 Cu18 N18 O117R -3 m18.2623; 18.2623; 39.6543
90; 90; 120
11453.3Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen
Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts
Chem.Commun., 2016, 52, 8585
7119827 CIFC180 H54 N18 O108 Zn18R -3 m18.816; 18.816; 38.416
90; 90; 120
11779Xiaoping Zhang; Zhenjie Zhang; Jake Boissonnault; Seth M. Cohen
Design and synthesis of squaramide-based MOFs as efficient MOF-supported hydrogen-bonding organocatalysts
Chem.Commun., 2016, 52, 8585
7121584 CIFC102 H102 Ag12 F18 N8 O12 S6R -3 m25.14; 25.14; 20.039
90; 90; 120
10968Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang
Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF
Chemical Communications, 2018
7123351 CIFBiR -3 m4.5392; 4.5392; 11.8347
90; 90; 120
211.18Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.
From a volatile molecular precursor to twin-free single crystals of bismuth
Chemical Communications, 2019
7123352 CIFBiR -3 m4.5481; 4.5481; 11.86
90; 90; 120
212.46Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V.
From a volatile molecular precursor to twin-free single crystals of bismuth
Chemical Communications, 2019
7221587 CIFC11 H5 O5 ZnR -3 m19.0926; 19.0926; 37.8155
90; 90; 120
11938Yang, Jie; Zhang, Liangliang; wang, xiao qing; Wang, Rongming; Dai, Fangna; Sun, Daofeng
Fluorescent Selectivity for Small Molecules of Three Zn-MOFs with different Topologies Based on a Tetracarboxylate Ligand
RSC Adv., 2015

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