Crystallography Open Database

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9014625 CIFMg39 O120 Si28P 1 m 135.02; 9.23; 7.27
90; 90; 90		2349.92Dodony, I.; Posfai, M.; Buseck, P. R.
Revised structure models for antigorite: An HRTEM study Note: n = 14
American Mineralogist, 2002, 87, 1443-1457
9011506 CIFFe0.507 Ni0.493P 1 m 13.581; 3.582; 3.587
90; 90.04; 90		46.011Tagai, T.; Takeda, H.
Superstructure of tetrataenite from the Saint Severin meteorite
Zeitschrift fur Kristallographie, 1995, 210, 14-18
9006302 CIFO2 SiP 1 m 14.7082; 5.5282; 5.0064
90; 107.835; 90		124.044Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 19
Physics and Chemistry of Minerals, 1994, 21, 269-284
9004514 CIFH62 Mg48 O147 Si34P 1 m 143.3; 9.23; 7.27
90; 91.6; 90		2904.39Uehara, S.
TEM and XRD study of antigorite superstructures
The Canadian Mineralogist, 1998, 36, 1595-1605
9003103 CIFH79 Mg48 O147 Si34P 1 m 143.505; 9.251; 7.263
90; 91.32; 90		2922.33Capitani, G.; Mellini, M.
The modulated crystal structure of antigorite: The m = 17 polysome
American Mineralogist, 2004, 89, 147-158
8000387 CIFC14 H18 Co N2 O5P 1 m 16.115; 7.1238; 10.661
90; 94.83; 90		462.8Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000371 CIFC14 H16 Co N2 O5P 1 m 16.0509; 7.0817; 10.657
90; 95.19; 90		454.8Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000370 CIFC14 H18 Co N2 O5P 1 m 16.0655; 7.074; 10.725
90; 95.28; 90		458.2Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000369 CIFC14 H17 Co N2 O5P 1 m 16.0764; 7.0959; 10.704
90; 95.196; 90		459.63Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000360 CIFC14 H18 Co N2 O5P 1 m 16.0947; 7.0944; 10.6845
90; 95.116; 90		460.139Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000359 CIFC14 H18 Co N2 O5P 1 m 16.0947; 7.0901; 10.6768
90; 95.09; 90		459.55Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000358 CIFC14 H18 Co N2 O5P 1 m 16.1006; 7.0942; 10.6767
90; 95.052; 90		460.28Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000357 CIFC14 H18 Co N2 O5P 1 m 16.1054; 7.0878; 10.6638
90; 95.094; 90		459.64Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000356 CIFC14 H18 Co N2 O5P 1 m 16.1071; 7.0985; 10.6748
90; 95.017; 90		460.99Andrzejewski, Michał; Katrusiak, Andrzej
Piezochromic Porous Metal-Organic Framework.
The journal of physical chemistry letters, 2017, 8, 279-284
8000226 CIFCe H2 O8.5 S2P 1 m 17.095; 5.423; 9.24
90; 98.73; 90		351.401Yu Ranbo; Wang Dan; Ishiwata, S.; Xing Xianran; Chen Yunfa; Saito, T.; Takano, M.
A novel open-framework cerium sulfate hydrate: Synthesis and characterization
Chemistry Letters, 2004, 2004, 1186-1187
7707106 CIFN5 Na2P 1 m 14.781; 2.5873; 4.934
90; 119.6; 90		53.1Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.
Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 7229-7237
7702339 CIFC15 H21 Cl3 I2 N4 Pd S6P 1 m 121.724; 12.901; 11.004
90; 102.83; 90		3007Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lelj, Francesco; Lippolis, Vito; Pedraglio, Samuele; Verani, Gaetano
Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione)
Journal of the Chemical Society, Dalton Transactions, 1998, 3731
7248322 CIFC11 H12 B F2 N O2 S SiP 1 m 18.7169; 7.4368; 10.3692
90; 103.038; 90		654.86Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents
RSC Medicinal Chemistry, 2024
7218665 CIFC12 H12 F3 I3 N4P 1 m 15.8849; 24.903; 6.2247
90; 98.864; 90		901.3Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd
Directed synthesis of a halogen-bonded open porphyrin network
CrystEngComm, 2014, 16, 10380
7008754 CIFC22 H65 Br3 Cu2 N8 O12 P2P 1 m 19.0641; 26.5943; 9.4785
90; 117.044; 90		2035Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan
Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding.
Dalton transactions (Cambridge, England : 2003), 2005, 2908-2915
4516817 CIFC24.75 H29 Cl2 N2 O2.75 S2P 1 m 17.7704; 16.1957; 10.2976
90; 90.612; 90		1295.85Zhang, Wei; Gan, Shiyu; Vezzoli, Andrea; Davidson, Ross J.; Milan, David C.; Luzyanin, Konstantin V.; Higgins, Simon J.; Nichols, Richard J.; Beeby, Andrew; Low, Paul J.; Li, Buyi; Niu, Li
Single-Molecule Conductance of Viologen-Cucurbit[8]uril Host-Guest Complexes.
ACS nano, 2016, 10, 5212-5220
4348367 CIFC8 H24 I6 N2 Pb2P 1 m 19.6621; 15.84; 9.6626
90; 119.98; 90		1281Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun
Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.
Inorganic chemistry, 2016, 55, 8025-8030
4325045 CIFIn O8 Se2 VP 1 m 14.6348; 6.9111; 10.507
90; 97.77; 90		333.47Dong Woo Lee; Seung-Jin Oh; P. Shiv Halasyamani; Kang Min Ok
New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8
Inorganic Chemistry, 2011, 50, 4473-4480
4312633 CIFC4 Ag5 N4 S8 Sb3P 1 m 16.2215; 15.7707; 11.6478
90; 92.645; 90		1141.63Paz Vaqueiro; Ann M. Chippindale; Andrew R. Cowley; Anthony V. Powell
Templated Synthesis of the Novel Layered Silver-Antimony Sulfides [H3NCH2CH2NH2][Ag2SbS3] and [H3NCH2CH2NH2]2[Ag5Sb3S8]
Inorganic Chemistry, 2003, 42, 7846-7851
4309523 CIFC24 H19 B2 Cu2 N9P 1 m 18.464; 7.613; 13.176
90; 90.482; 90		849Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson
Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives
Inorganic Chemistry, 2005, 44, 6256-6264
4306162 CIFC10 H16 Br6 In2 P2P 1 m 17.0489; 10.496; 7.984
90; 95.457; 90		588Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang
Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides
Inorganic Chemistry, 2008, 47, 9691-9700
4119149 CIF
HKL		K Nb O3P 1 m 14.04976; 3.99218; 4.02076
90; 90.1012; 90		65.005Seungwook Kim; Ju-Hyuck Lee; Jaeyeon Lee; Sang-Woo Kim; Myung Hwa Kim; Sungnam Park; Haegeun Chung; Yong-Il Kim; Woong Kim
Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature
Journal of the American Chemical Society, 2013, 135, 6-9
4109817 CIFC37 H55 Cu N O5P 1 m 110.341; 17.855; 10.3418
90; 90.073; 90		1909.5Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov
Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)
Journal of the American Chemical Society, 2007, 129, 10512-10521
4066934 CIFC30 H72 O3 Si9P 1 m 110.017; 26.789; 10.0531
90; 118.64; 90		2367.6Berkefeld, André; Troegel, Dennis; Burschka, Christian; Tacke, Reinhold
Synthesis and Characterization of {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives
Organometallics, 2010, 29, 4548
4003449 CIFF4 I K5 O12 W3P 1 m 19.7129; 3.7122; 10.9575
90; 102.007; 90		386.44Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi
K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold
Chemistry of Materials, 2019, 31, 10100
4001797 CIFLi25 Nd125 O600 Ti200P 1 m 138.3106; 7.72437; 38.2799
90; 90; 90		11328Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf
Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites
Chemistry of Materials, 2013, 25, 2670-2683
2312687 CIF
HKL
Paper		Al4 Ba6 O15 Y2P 1 m 15.9019; 7.8744; 9.6538
90; 107.794; 90		427.19Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori
Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 464-471
2311728 CIFC4 H12 Cl4 Ga NP 1 m 16.4571; 7.1456; 6.4596
90; 91.721; 90		297.91Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311721 CIFC4 H12 Cl4 Fe NP 1 m 16.425; 7.148; 6.4274
90; 91.21; 90		295.12Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311060 CIFK0.1 Na0.9 Nb O3P 1 m 17.8782; 7.792; 7.8632
90; 90.479; 90		482.681Ahtee, M.; Hewat, A.W.
The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction
Acta Crystallographica A (24,1968-38,1982), 1975, 31, 846-850
2311059 CIFK0.02 Na0.98 Nb O3P 1 m 17.8567; 7.767; 7.8478
90; 90.856; 90		478.843Ahtee, M.; Hewat, A.W.
The structures of Na0.98 K0.02 Nb O3 and Na0.9 K0.1 Nb O3 (phase Q) at room temperature by neutron powder diffraction
Acta Crystallographica A (24,1968-38,1982), 1975, 31, 846-850
2310808 CIFK0.65 Na0.35 Nb O3P 1 m 17.9751; 7.862; 7.9565
90; 90.34; 90		498.866Athee, M.; Hewat, A.W.
Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction
Acta Crystallographica A (24,1968-38,1982), 1978, 34, 309-317
2310806 CIFK0.8 Na0.2 Nb O3P 1 m 17.9162; 7.835; 7.8993
90; 90.325; 90		489.934Ahtee, M.; Hewat, A.W.
Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction
Acta Crystallographica A (24,1968-38,1982), 1978, 34, 309-317
2104388 CIF
Paper		K0.3 Na0.7 Nb O3P 1 m 15.65868; 3.93856; 5.6248
90; 90.073; 90		125.36Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Acta Crystallographica Section B, 2009, 65, 291-299
2104386 CIF
Paper		K0.05 Na0.95 Nb O3P 1 m 15.60123; 7.79834; 5.548
90; 90.051; 90		242.338Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A.
Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K)
Acta Crystallographica Section B, 2009, 65, 291-299
2104293 CIF
Paper		K0.3 Na0.7 Nb O3P 1 m 15.64304; 3.93188; 5.6126
90; 89.9136; 90		124.531Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M.
Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36
Acta Crystallographica Section B, 2009, 65, 22-28
2101649 CIF
Paper		Nb7 O56 W12.5 Zr0.5P 1 m 119; 3.9; 13.8
90; 93.5; 90		1020.67Krumeich, F.; Liedtke, G.; Mader, W.
A novel intergrowth structure between ReO~3~-type and tetragonal tungsten bronze-type in the Zr/Nb/W/O system
Acta Crystallographica Section B, 1996, 52, 917-922
2002390 CIFCa Mg3 O16 Y8P 1 m 16.516; 10.62; 5.866
90; 92.4; 90		405.6Schroeder, F; Mueller-Buschbaum, Hk
Neue metastabile oxolanthanoide: Ba Ca2 Y6 O12 und Ca.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16)
Journal of the Less-Common Metals, 1986, 116, 211-218
2002388 CIFCa0.33 Mg O6 Y2.67P 1 m 16.516; 10.62; 5.866
90; 92.4; 90		405.6Schroeder, F; Mueller-Buschbaum, Hk
Neue metastabile Oxolanthanoide: Ba Ca2 Y6 O12 und Ca0.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16)
Journal of the Less-Common Metals, 1986, 116, 211-218
1569180 CIFC112 H67 N24 O32 Zn10P 1 m 118.046; 9.8055; 24.994
90; 110.269; 90		4148.8Liu, Jiaqi; Wang, Hao; Li, Jing
Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.
Chemical science, 2023, 14, 5912-5917
1569029 CIFC112 H67 N24 O32 Zn10P 1 m 118.046; 9.8055; 24.994
90; 110.269; 90		4148.8Yuan, Amelia T.; Stillman, Martin J.
Arsenic binding to human metallothionein-3.
Chemical science, 2023, 14, 5756-5767
1563688 CIFCu3 La4 Mo O12P 1 m 16.856; 10.9802; 7.9147
90; 90.016; 90		595.82Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio
Single crystal growth and structure of La4Cu3MoO12
Journal of Solid State Chemistry, 2010, 183, 551-556
1563687 CIFCu3 La4 Mo O12P 1 m 16.856; 10.9802; 7.9147
90; 90.016; 90		595.82Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio
Single crystal growth and structure of La4Cu3MoO12
Journal of Solid State Chemistry, 2010, 183, 551-556
1563686 CIFCu3 La4 Mo O12P 1 m 16.856; 10.9802; 7.9147
90; 90.016; 90		595.82Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio
Single crystal growth and structure of La4Cu3MoO12
Journal of Solid State Chemistry, 2010, 183, 551-556
1563405 CIFBi3 In4 S10P 1 m 111.566; 7.6427; 17.742
90; 98.03; 90		1552.9Yin, Wenlong; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng
Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi‒Bi bonding
Journal of Solid State Chemistry, 2010, 183, 2544-2551

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