Crystallography Open Database

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1000052 CIFC4 Ca Mg3 O12R 3 2 :H9.5027; 9.5027; 7.8212
90; 90; 120		611.6Dollase, W A; Reeder, R J
Crystal structure refinement of Huntite Ca Mg~3~ (C O~3~)~4~ with X-ray powder data
American Mineralogist, 1986, 71, 163-166
1000474 CIFC3 F4 Gd2 K4 O9R 3 2 :H9.0268; 9.0268; 13.684
90; 90; 120		965.6Mercier, N; Leblanc, M; Durand, J
New frequency doubling compounds: K4 Ln2 (C O3)3 F4 (Ln = Pr, Nd, Sm, Gd, Eu); crystal structure and characterization
European Journal of Solid State Inorganic Chemistry, 1997, 34, 241-249
1001481 CIFNa6 Nb8 O35 P5R 3 2 :H8.9185; 8.9185; 30.055
90; 90; 120		2070.3Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A niobium phosphate "bronze" closely related to the Ba4/3Nb~6~Si4/4O~26~ structure: Na~6~Nb~8~P~5~O~35~
Journal of Solid State Chemistry, 1991, 92, 51-56
1001536 CIFK3 Na3 Nb8 O35 P5R 3 2 :H8.961; 8.961; 30.204
90; 90; 120		2100.4Gueho, C; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A new series of phosphates with the Na~6~Nb~8~P~5~O~35~ structure
European Journal of Solid State Inorganic Chemistry, 1992, 29, 1253-1261
1001859 CIFCa0.504 Cs2 Nb6 O24 P3R 3 2 :H13.3799; 13.3799; 10.3713
90; 90; 120		1607.9Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24
Journal of Solid State Chemistry, 1991, 90, 279-284
1001862 CIFNa Nb6 O24 P3 Rb2R 3 2 :H13.3518; 13.3518; 10.3415
90; 90; 120		1596.6Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
A large family of niobium phosphates with the Ca0.5 Cs2 Nb6 P3 O24 structure
Materials Research Bulletin, 1991, 26, 301-307
1007049 CIFH4 N Ni O9 P3R 3 2 :H10.13; 10.13; 7.098
90; 90; 120		630.8Tordjman, I; Tranqui, D; Durif, A; Averbuch, M T
Structure cristalline du metaphosphate de nickel-ammonium rhomboedrique Ni N H~4~ (P O~3~)~3~. Donnees cristallographique sur les metaphosphates rhomboedriques du type M^II^ N H~4~ (P O~3~)3 (M^II^ = Ni, Co, Mg)
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1968, 91, 242-246
1509886 CIFAg4 Mn3 O8R 3 2 :H12.68145; 12.68145; 15.34087
90; 90; 120		2136.58Jansen, M.; Ahlert, S.; Dinnebier, R.
The crystal structures of the high temperature phases of Ag4 Mn3 O8
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2005, 631, 90-98
1509905 CIFAg3 B O3R 3 2 :H9.873; 9.873; 3.381
90; 90; 120		285.413Scheld, W.; Jansen, M.
Silber(I)-orthoborat
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1981, 477, 85-89
1511509 CIFB4 Bi0.5 Fe3 Nd0.5 O12R 3 2 :H9.587; 9.587; 7.608
90; 90; 120		605.573Belokoneva, E.L.; Timchenko, T.I.; Leonyuk, N.I.; Al'shinskaya, L.I.; Simonov, M.A.; Belov, N.V.
The crystal structure of (Nd, Bi) Fe3 (B O3)4
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1979, 20, 542-544
1511617 CIFB4 Ce O12 Sc3R 3 2 :H9.796; 9.796; 7.96
90; 90; 120		661.517Reynolds, T.A.; Peterson, G.A.; Keszler, D.A.
Stoichiometric, trigonal huntite borate Ce Sc3 (B O3)4
International Journal of Inorganic Materials, 2000, 2, 101-106
1511739 CIFB4 Fe3 O12 TbR 3 2 :H9.5466; 9.5466; 7.5704
90; 90; 120		597.512Alemi, A.; Hinatsu, Y.; Ito, K.; Wakeshima, M.; Doi, Y.
Magnetic and calorimetric studies on rare-earth iron borates Ln Fe3 (B O3)4 (Ln = Y, La - Nd, Sm - Ho)
Journal of Solid State Chemistry, 2003, 172, 438-445
1511741 CIFB4 Ga3 Nd O12R 3 2 :H9.5; 9.5; 7.502
90; 90; 120		586.347Timchenko, T.I.; Al'shinskaya, L.I.; Belov, N.V.; Leonyuk, N.I.; Simonov, M.A.; Belokoneva, E.L.
Crystal structure of Nd Ga3 (B O3)4
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1978, 19, 382-384
1511754 CIFB4 La O12 Sc3R 3 2 :H9.819; 9.819; 7.987
90; 90; 120		666.882Lu, S.-F.; He, M.-Y.; Chen, W.-Z.; Lin, Z.-B.; Wang, G.-F.; Wu, Q.-J.
Structure of medium temperature phase beta-(La Sc3 (B O3)4) crystal
Materials Research Innovation, 1999, 2, 345-348
1520106 CIFC224 H273 B3 F12 N12 O66 Zn8R 3 2 :H33.03; 33.03; 28.099
90; 90; 120		26548Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb
A molecular shuttle that operates inside a metal-organic framework
Nature Chemistry, 2015, 7, 514-519
1521340 CIFAl2 B2 O7 SrR 3 2 :H4.90363; 4.90363; 23.93459
90; 90; 120		498.416Kaduk, J.A.; Satek, L.C.; McKenna, S.T.
Crystal structures of metal aluminium borates
The Rigaku Journal, 1999, 16, 17-30
1523435 CIFHg Mg3R 3 2 :H8.351; 8.351; 25.845
90; 90; 120		1560.93Daams, J.L.C.; van Vucht, J.H.N.
Contribution to the system Mg-Au-Hg
Philips Journal of Research, 1984, 39, 275-292
1524770 CIFAl3 B4 Gd O12R 3 2 :H9.3014; 9.3014; 7.2571
90; 90; 120		543.739Kuroda, R.; Rosini, C.; Mason, S.F.
Crystal structure and single-crystal spectra of Gd0.97 Eu0.03 Al3 (B O3)4
Journal of the Chemical Society. Faraday Transactions 2., 1981, 77, 2125-2140
1526005 CIFAl3 B4 O12 YR 3 2 :H9.293; 9.293; 7.236
90; 90; 120		541.179Meszaros, G.; Svab, E.; Toth, M.; Beregi, E.; Watterich, A.
Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction
Physik (Berlin), 2000, 276, 310-311
1526006 CIFAl1.5 B4 Ga1.5 O12 YR 3 2 :H9.342; 9.342; 7.325
90; 90; 120		553.628Meszaros, G.; Svab, E.; Toth, M.; Watterich, A.; Beregi, E.
Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction
Physik (Berlin), 2000, 276, 310-311
1528662 CIFCo0.83 O2.5 SrR 3 2 :H9.5381; 9.5381; 12.6146
90; 90; 120		993.866de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T.
Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study
Solid State Sciences, 2008, 10, 1924-1935
1528773 CIFCo H27 Mn Mo9 O43R 3 2 :H15.926; 15.926; 12.363
90; 90; 120		2715.61Oreshkina, A.V.; Rabadanov, M.Kh.; Ivanova, A.G.; Kaziev, G.Z.
Synthesis, thermal analysis, and crystal structure of manganese(II) 9-molybdocobaltate(III)
Kristallografiya, 2007, 52, 1096-1099
1529269 CIF
HKL		Al3 B4 Er O12R 3 2 :H9.2833; 9.2833; 7.2234
90; 90; 120		539.11Malakhovskii, Alexander; Kutsak, Tatyana; Sukhachev, Alexander; Krylov, Alexander; Gudim, Irina; Alexandrovsky, Alexander; Molokeev, Maxim
Spectroscopic properties of ErAl3(BO3)4 single crystal
Chemical Physics, 2014, 428, 137
1529270 CIF
HKL		B4 Er Fe3 O12R 3 2 :H9.566; 9.566; 7.591
90; 90; 120		601.6Malakhovskii, Alexander; Sokolov, Valerii; Sukhachev, Alexander; Gudim, Irina; Molokeev, Maxim
Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal
Physics of the Solid State, 2014, 56, 2056
1529621 CIFAl3 B4 O12 YR 3 2 :H9.295; 9.295; 7.243
90; 90; 120		541.936Belokoneva, E.L.; Azizov, A.V.; Leonjuk, N.I.; Belov, N.V.; Simonov, M.A.
The crystal structure of Y Al3 (B O3)4
Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1981, 22, 196-198
1530407 CIFLu3 Na15 O36 Si12R 3 2 :H21.926; 21.926; 12.556
90; 90; 120		5227.58Merinov, B.V.; Maksimov, B.A.; Belov, N.V.; Kharitonov, Yu.A.
Crystal structure of the rare-earth silicate Na5 Lu Si4 O12
Doklady Akademii Nauk SSSR, 1978, 240, 81-84
1530609 CIFH12 N3 Nd O12 S3R 3 2 :H10.514; 10.514; 19.987
90; 90; 120		1913.44Porai-Koshits, M.A.; Sokol, V.I.; Kop'eva, M.A.
Rare-earth trisulfimidates. Crystal structure of (H2 O)6 Nd (O2 S N)3
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1982, 8, 702-708
1532380 CIFAl3 B4 O12 YbR 3 2 :H9.251; 9.251; 7.189
90; 90; 120		532.815Xu, Y.-Y.; Chen, Y.-J.; Huang, Y.-D.; Luo, Z.-D.; Chen, J.-T.
Growth and crystal structure of Yb Al3 (B O3)4
Jiegon Huaxue, 2002, 21, 402-404
1534613 CIFCa2 Fe22 O33R 3 2 :H6.028; 6.028; 62.224
90; 90; 120		1958.1Arakcheeva, A.V.; Karpinskii, O.G.
Crystal structure of hexagonal Ca-ferrite, Ca2 Fe22 O33
Kristallografiya, 1990, 35, 1105-1109
1535153 CIFBa12 Ir1.752 O33 Rh9.248R 3 2 :H10.0492; 10.0492; 28.3855
90; 90; 120		2482.5Stitzer, K.E.; zur Loye, H.C.; El Abed, A.; Darriet, J.
Crystal growth, structure determination and magnetism of a new m=1, n=1 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12 Rh9.25 Ir1.75 O33
Journal of Solid State Chemistry, 2004, 177, 1405-1411
1536186 CIFAl B4 Bi Ga2 O12R 3 2 :H9.4424; 9.4424; 7.4105
90; 90; 120		572.194Wang Shichao; Ye Ning
Nonlinear optical crystal Bi Al Ga2 (B O3)4
Solid State Sciences, 2007, 9, 713-717
1536594 CIFGa5 In Na2 Se10R 3 2 :H13.742; 13.742; 16.61
90; 90; 120		2716.44Kienle, L.; Duppel, V.; Deiseroth, H.J.; Simon, A.
Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 443-453
1536892 CIFH16 Mo10 Na4 O40R 3 2 :H15.681; 15.681; 12.398
90; 90; 120		2640.16Feng, L.-Y.; Xu, Y.; Wang, Y.-H.; Hu, C.-W.; Qi, Y.-J.; Wang, E.-B.
Synthesis and crystal structure of the first Waugh-type isopolyoxomolybdate Na4 Mo10 O32 * 8(H2 O)
Journal of Molecular Structure, 2003, 645, 231-234
1538410 CIFH12 O21 Se2 U3R 3 2 :H9.567; 9.567; 22.703
90; 90; 120		1799.56Mit'kovskaya, E.V.; Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkina, L.B.; Serezhkin, V.N.
Crystal structure of (H3 O)3 ((U O2)3 O (O H)3 (Se O4)2)
Zhurnal Neorganicheskoi Khimii, 2003, 48, 755-759
1540091 CIFNi3 Se2R 3 2 :H6.029; 6.029; 7.249
90; 90; 120		228.191Hiller, J.E.; Wegener, W.
Untersuchungen im System Nickel-Selen
Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1960, 94, 1147-1159
1540208 CIFCa2.5 Fe15.5 O25R 3 2 :H6.011; 6.011; 94.69
90; 90; 120		2962.98Karpinskii, O.G.; Arakcheeva, A.V.
Crystal structure of triple hexagonal Ca-ferrite Ca3.0 Fe14.82 O25 (alpha-CFF-phase)
Kristallografiya, 1987, 32, 55-58
1541888 CIFC81 H129 Au3 N3 PR 3 2 :H23.2392; 23.2392; 27.9791
90; 90; 120		13086Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg
Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion
Chem. Sci., 2016, 7, 2335
1545742 CIFC96 H172 Cl K4 O86R 3 2 :H42.8927; 42.8927; 56.6605
90; 90; 120		90277Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies.
Molecular pharmaceutics, 2017, 14, 1831-1839
1545793 CIFB30 Nd5 O60 Rb15R 3 2 :H13.52363; 13.52363; 31.1617
90; 90; 120		4935.6V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev
Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12
Advanced Powder Technology, 2017, 28, 1309-1315
1546536 CIFCo H48 Mo9 N6 O44R 3 2 :H16.1035; 16.1035; 12.2637
90; 90; 120		2754.2Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao
Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation
Nanoscale, 2017
1549647 CIFC140 H132 Cl6 Dy10 N32 O52 P4R 3 2 :H26.7135; 26.7135; 71.325
90; 90; 120		44079Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min
Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.
Chemical science, 2018, 9, 6424-6433
1551321 CIFC216 H237 N35R 3 2 :H20.792; 20.792; 45.156
90; 90; 120		16906Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551322 CIFC216 H237 N35R 3 2 :H20.804; 20.804; 45.126
90; 90; 120		16914Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551323 CIFC216 H237 N35R 3 2 :H20.4108; 20.4108; 44.6718
90; 90; 120		16117Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551324 CIFC216 H237 N35R 3 2 :H20.6365; 20.6365; 44.899
90; 90; 120		16559Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551325 CIFC218.02 H246.5 Cl1.5 N35 O1.5R 3 2 :H20.718; 20.718; 44.992
90; 90; 120		16725Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551326 CIFC216 H237 N35R 3 2 :H20.6071; 20.6071; 44.949
90; 90; 120		16530.4Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551327 CIFC226 H268 Cl6 N35 O8R 3 2 :H20.5397; 20.5397; 44.747
90; 90; 120		16348.7Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1557094 CIFC36 H90 Gd K N5 O6 Si6R 3 2 :H18.564; 18.564; 18.05
90; 90; 120		5387Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
Chemical Science, 2020, 11, 2006-2014
1557666 CIFC61 H66 F3 N8 O15 S Tb Zn2R 3 2 :H11.8682; 11.8682; 38.4392
90; 90; 120		4688.9Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw
Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets
The Journal of Physical Chemistry C, 2020

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