Crystallography Open Database

Result: there are 652 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P 63 m c'

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 7 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2238069 CIF
HKL
Paper		As4 H4.5 Mg6.75 O19P 63 m c12.7651; 12.7651; 5.0844
90; 90; 120		717.49Weil, Matthias
Mg~6.75~(OH)~3~(H~0.166~AsO~4~)~3~(HAsO~4~), a member of the <i>M</i>~1-~<i>~x~M</i>'~6~(OH)~3~(H~2<i>x~/3</i>AsO~4~)~3~(HAsO~4~) family (<i>M</i>,<i>M</i>' = Co; Ni)
Acta Crystallographica Section E, 2013, 69, i29
2241733 CIF
HKL
Paper		Ge Li2 Mo3 O8P 63 m c5.7268; 5.7268; 9.9841
90; 90; 120		283.57Gall, Philippe; Gougeon, Patrick
Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units
Acta Crystallographica Section E, 2016, 72, 995-997
2243616 CIF
HKL
Paper		Al0.4 Ba1.8 Ce0.2 Lu2 N13.8 O0.2 Si7.6P 63 m c6.0378; 6.0378; 9.8133
90; 90; 120		309.82Simura, Rayko; Yamane, Hisanori
Lu-atom-ordered oxonitridoaluminosilicate Ba~0.9~Ce~0.1~LuAl~0.2~Si~3.8~N~6.9~O~0.1~
Acta Crystallographica Section E, 2020, 76, 1708-1711
2300112 CIF
Paper		O ZnP 63 m c3.2494; 3.2494; 5.2054
90; 90; 120		47.598Sowa, Heidrun; Ahsbahs, Hans
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
Journal of Applied Crystallography, 2006, 39, 169-175
2300113 CIF
Paper		O ZnP 63 m c3.2342; 3.2342; 5.1772
90; 90; 120		46.899Sowa, Heidrun; Ahsbahs, Hans
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
Journal of Applied Crystallography, 2006, 39, 169-175
2300114 CIF
Paper		O ZnP 63 m c3.219; 3.219; 5.1489
90; 90; 120		46.205Sowa, Heidrun; Ahsbahs, Hans
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
Journal of Applied Crystallography, 2006, 39, 169-175
2300115 CIF
Paper		O ZnP 63 m c3.2049; 3.2049; 5.1216
90; 90; 120		45.558Sowa, Heidrun; Ahsbahs, Hans
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
Journal of Applied Crystallography, 2006, 39, 169-175
2300116 CIF
Paper		O ZnP 63 m c3.195; 3.195; 5.1027
90; 90; 120		45.11Sowa, Heidrun; Ahsbahs, Hans
High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape
Journal of Applied Crystallography, 2006, 39, 169-175
2300450 CIF
HKL
Paper		O ZnP 63 m c3.249308; 3.249308; 5.205709
90; 90; 120		47.5984Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc
Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods
Journal of Applied Crystallography, 2014, 47, 659-667
2310195 CIFNi3 Th7P 63 m c9.86; 9.86; 6.23
90; 90; 120		524.533Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310262 CIFLu Mn5P 63 m c5.186; 5.186; 8.566
90; 90; 120		199.514Wang, F.E.; Gilfrich, J.V.
The crystal structures of Lu Mn5 and the R Mn12 compounds (where R= Gd, Tb, Dy, Ho, Er and Tm)
Acta Crystallographica (1,1948-23,1967), 1966, 21, 476-481
2310263 CIFGd13 Zn58P 63 m c14.352; 14.352; 14.218
90; 90; 120		2536.26Wang, F.E.
The crystal structure of Gd13 Zn58
Acta Crystallographica (1,1948-23,1967), 1967, 22, 579-584
2310302 CIFCe24 Co11P 63 m c9.587; 9.587; 21.825
90; 90; 120		1737.2Larson, A.C.; Cromer, D.T.
The crystal structure of Ce24 Co11
Acta Crystallographica (1,1948-23,1967), 1962, 15, 1224-1227
2310310 CIFCe7 Ni3P 63 m c9.92; 9.92; 6.33
90; 90; 120		539.458Roof, R.B.jr.; Larson, A.C.; Cromer, D.T.
The crystal structure of Ce7 Ni3
Acta Crystallographica (1,1948-23,1967), 1961, 14, 1084-1087
2310332 CIFMo3 O8 Zn2P 63 m c5.759; 5.759; 9.903
90; 90; 120		284.441Ansell, G.B.; Katz, L.
A refinement of the crystal structure of zinc molybdenum(IV) oxide, Zn2 Mo3 O8
Acta Crystallographica (1,1948-23,1967), 1966, 21, 482-485
2310415 CIFC3 Al5 NP 63 m c3.281; 3.281; 21.67
90; 90; 120		202.024Jeffrey, G.A.; Wu, V.Y.
The structures of the aluminum carbonitrides. II
Acta Crystallographica (1,1948-23,1967), 1966, 20, 538-547
2310416 CIFC3 Al7 N3P 63 m c3.226; 3.226; 31.7
90; 90; 120		285.706Jeffrey, G.A.; Wu, V.Y.
The structures of the aluminum carbonitrides. II
Acta Crystallographica (1,1948-23,1967), 1966, 20, 538-547
2310546 CIFBa S3 TiP 63 m c6.758; 6.758; 5.778
90; 90; 120		228.531Clearfield, A.
The synthesis and crystal structures of some alkaline earth titanium and zirkonium sulfides
Acta Crystallographica (1,1948-23,1967), 1963, 16, 135-142
2310592 CIFFe2.5 O16 V7.11P 63 m c5.854; 5.854; 9.295
90; 90; 120		275.858Hanson, A.W.
The crystal structure of nolanite
Acta Crystallographica (1,1948-23,1967), 1958, 11, 703-709
2310812 CIFS ZnP 63 m c3.82; 3.82; 50.07999
90; 90; 120		632.88Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T.
Polytype families in zinc sulfide crystals
Acta Crystallographica (1,1948-23,1967), 1967, 22, 808-812
2310902 CIFRh3 Th7P 63 m c10.028; 10.028; 6.293
90; 90; 120		548.046Ferro, R.; Rambaldi, G.
The phase D102 type in the thorium-rhodium alloy system
Acta Crystallographica (1,1948-23,1967), 1961, 14, 1094-1094
2310932 CIFC SiP 63 m c3.079; 3.079; 20.146
90; 90; 120		165.401Ramsdell, L.S.; Kohn, J.A.
Developments in silicon carbide research
Acta Crystallographica (1,1948-23,1967), 1952, 5, 215-224
2311946 CIF
Paper		Ag K7 O16 W4P 63 m c12.4912; 12.4912; 7.4526
90; 90; 120		1007.04Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.
Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).
Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1071-1077
2311947 CIF
Paper		Ag1.32 K6.68 Mo4 O16P 63 m c12.4188; 12.4188; 7.4338
90; 90; 120		992.89Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.
Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).
Acta crystallographica. Section C, Structural chemistry, 2017, 73, 1071-1077
2312498 CIFGe4 N4 O4 SnP 63 m c5.876; 5.876; 9.418
90; 90; 120		281.6Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312499 CIFGe4.158 N4 O4 Sn0.842P 63 m c5.839; 5.839; 9.365
90; 90; 120		276.51Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
3000229 On hold until 2020-03-19Al5 H O8P 63 m c5.6244; 5.6244; 8.8417
90; 90; 120		242.22Parise, John B.; Xia, Bingying; Simonson, Jack W.; Woerner, William R.; Plonka, Anna M.; Phillips, Brian L.; Ehm, Lars
To be published in Crystals
3000230 On hold until 2020-03-19Al5 H O8P 63 m c5.576099; 5.5761; 8.77247
90; 90; 120		236.218Parise, John B.; Xia, Bingying; Simonson, Jack W.; Woerner, William R.; Plonka, Anna M.; Phillips, Brian L.; Ehm, Lars
To be published in Crystals
3500056 CIFH12 Ni12 O38 P8P 63 m c12.4544; 12.4544; 4.94856
90; 90; 120		664.75Armel Le Bail
Ni12(HPO4)6(PO4)2(OH)6 P63mc related to COD 4313804 and to COD 1000115 and dumortierite
Personal communication to COD, 2016
4000325 CIFGa0.98 Mn0.02 NP 63 m c3.2026; 3.2026; 5.1987
90; 90; 120		46.178Chemistry of Materials, 2003
4000326 CIFGa0.95 Mn0.05 NP 63 m c3.1968; 3.1968; 5.1901
90; 90; 120		45.934Chemistry of Materials, 2003
4000879 CIFH4 I Li3 N2P 63 m c7.09109; 7.09109; 11.50958
90; 90; 120		501.206Matsuo, Motoaki; Sato, Toyoto; Miura, Yohei; Oguchi, Hiroyuki; Zhou, Yu; Maekawa, Hideki; Takamura, Hitoshi; Orimo, Shin-ichi
Synthesis and Lithium Fast-Ion Conductivity of a New Complex Hydride Li3(NH2)2I with Double-Layered Structure
Chemistry of Materials, 2010, 22, 2702
4000911 CIFCs2 H12 Mn2 O20 P2P 63 m c6.986813; 6.986813; 12.037947
90; 90; 120		508.91Ferdov, Stanislav; Lin, Zhi
Selective Detection of Cs+in Water Solutions via One-Step Formation of a New Type of Struvite-Like Phosphate
Chemistry of Materials, 2010, 22, 5345
4001316 CIFGa0.96 Mn0.04 NP 63 m c3.1932; 3.1932; 5.185
90; 90; 120		45.79Kaminski, Michal; Podsiadlo, Slawomir; Dominik, Pawel; Wozniak, Krzysztof; Dobrzycki, Lukasz; Jakiela, Rafal; Barcz, Adam; Psoda, Marek; Mizera, Jaroslaw; Bacewicz, Rajmund; Zajac, Marcin; Twardowski, Andrzej
New Chemical Method of Obtaining Thick Ga1-xMnxN Layers: Prospective Spintronic Material
Chemistry of Materials, 2007, 19, 3139
4001352 CIFC12 H40 Al0.57 Cr0.1 N2 O16 P4 Zn2P 63 m c15.269; 15.269; 10.336
90; 90; 120		2086.9Yang, Yali; Li, Niu; Song, Haibin; Wang, Honggen; Chen, Wenbin; Xiang, Shouhe
Metal Phosphite Containing 24-Ring Channels with 10-Ring Windows
Chemistry of Materials, 2007, 19, 1889
4001595 CIFBa5 Mg0.125 O15 Ta3.95P 63 m c5.810528; 5.810528; 23.88459
90; 90; 120		698.36Mallinson, P.; Claridge, J. B.; Iddles, D.; Price, T.; Ibberson, R. M.; Allix, M.; Rosseinsky, M. J.
New 10-Layer Hexagonal Perovskites: Relationship between Cation and Vacancy Ordering and Microwave Dielectric Loss
Chemistry of Materials, 2006, 18, 6227
4002361 CIFBa6 Fe4 La2 O15P 63 m c11.8816; 11.8816; 7.0714
90; 90; 120		864.542Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.
Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15
Chemistry of Materials (1,1989-), 2006, 18, 785-789
4002362 CIFBa6 Ga4 La2 O15P 63 m c11.8426; 11.8426; 7.09
90; 90; 120		861.134Abe, K.; Doi, Y.; Hinatsu, Y.; Ohoyama, K.
Magnetic properties of the spin tetramer compound Ba6 La2 Fe4 O15
Chemistry of Materials (1,1989-), 2006, 18, 785-789
4002702 CIFCl Ge4 Na O16 Sr2 V3P 63 m c10.4084; 10.4084; 7.2791
90; 90; 120		682.93Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.
Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl
Chemistry of Materials, 2017, 29, 1404
4002703 CIFCl Ge4 K O16 Sr2 V3P 63 m c10.4679; 10.4679; 7.2427
90; 90; 120		687.31Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.
Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl
Chemistry of Materials, 2017, 29, 1404
4002704 CIFBi3 F3 I4 O13P 63 m c10.8797; 10.8797; 6.9926
90; 90; 120		716.81Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie
Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response
Chemistry of Materials, 2017, 29, 945
4003635 CIFF6 Ga3 O6 Rb Se2P 63 m c7.1711; 7.1711; 11.7115
90; 90; 120		521.57Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003636 CIFCs F6 Ga3 O6 Se2P 63 m c7.1876; 7.1876; 11.8681
90; 90; 120		530.98Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003855 CIFAs Na SnP 63 m c4.015; 4.015; 11.766
90; 90; 120		164.26Ochs, Andrew M.; Gorai, Prashun; Wang, Yaxian; Scudder, Michael R.; Koster, Karl; Moore, Curtis E.; Stevanovic, Vladan; Heremans, Joseph P.; Windl, Wolfgang; Toberer, Eric S.; Goldberger, Joshua E.
Computationally Guided Discovery of Axis-Dependent Conduction Polarity in NaSnAs Crystals
Chemistry of Materials, 2021
4004057 CIFAg0.28 Mn0.86 Sb2 Yb2P 63 m c4.654; 4.654; 7.6686
90; 90; 120		143.85Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing
Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)
Chemistry of Materials, 2021, 33, 9732-9740
4004058 CIFAg0.58 Ca2 Mn0.71 Sb2P 63 m c4.6848; 4.6848; 7.7443
90; 90; 120		147.2Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing
Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)
Chemistry of Materials, 2021, 33, 9732-9740
4030284 CIFCe4 Cl2 O S4P 63 m c9.2549; 9.2549; 6.9413
90; 90; 120		514.89Schleid, T.
Ce4OS4Cl2 : the first oxysulfide-chloride of the lanthanides
European Journal of Solid State and Inorganic Chemistry, 1991, 28, 737-748
4030845 CIFCl6 O Sr4P 63 m c9.4513; 9.4513; 7.2036
90; 90; 120		557.27Hagemann, H.; Kubel, F.; Bill, H.
Crystal structure of Sr4OCl6
European Journal of Solid State and Inorganic Chemistry, 1996, 33, 1101-1109
4030894 CIFLi Mo2 O8 Tl3P 63 m c6.0037; 6.0037; 15.8194
90; 90; 120		493.809Colbeau-Justin, C.; Wallez, G.; Xuriguera, A.-M.; Elfakir, A.; Jaulmes, S.; Quarton, M.
Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I) lone pair
European Journal of Solid State and Inorganic Chemistry, 1997, 34, 1097-1106
4107203 CIFC3 Ba4 Cs3 F5 O9P 63 m c11.5158; 11.5158; 7.6132
90; 90; 120		874.35Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin
Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials
Journal of the American Chemical Society, 2011, 133, 20001-20007
4114282 CIFCl Fe N3 O3P 63 m c7.1701; 7.1701; 6.0403
90; 90; 120		268.93Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins
Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes
Journal of the American Chemical Society, 2003, 125, 12935-12944
4117966 CIFMn OP 63 m c3.3717; 3.3717; 5.3855
90; 90; 120		53.022Ki Min Nam; Yong-Il Kim; Younghun Jo; Seung Mi Lee; Bog G. Kim; Ran Choi; Sang-Il Choi; Hyunjoon Song; Joon T. Park
New Crystal Structure: Synthesis and Characterization of Hexagonal Wurtzite MnO
Journal of the American Chemical Society, 2012, 134, 8392-8395
4118879 CIFC7 H18 Br4 Fe NP 63 m c8.169; 8.169; 13.411
90; 90; 120		775Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong
Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)
Journal of the American Chemical Society, 2012, 134, 18487-18490
4118880 CIFC7 H18 Br4 Fe NP 63 m c8.267; 8.267; 13.524
90; 90; 120		800.4Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong
Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)
Journal of the American Chemical Society, 2012, 134, 18487-18490
4118881 CIFC7 H18 Br4 Fe NP 63 m c8.265; 8.265; 13.539
90; 90; 120		800.9Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong
Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)
Journal of the American Chemical Society, 2012, 134, 18487-18490
4118882 CIFC7 H18 Br4 Fe NP 63 m c8.344; 8.344; 13.67
90; 90; 120		824.2Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong
Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)
Journal of the American Chemical Society, 2012, 134, 18487-18490
4120249 CIFAg0.92 Ca0.89 La0.11 SbP 63 m c4.7029; 4.7029; 7.7921
90; 90; 120		149.25Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Journal of the American Chemical Society, 2013, 135, 11840-11848
4120250 CIFAg0.9 Ca0.84 Ce0.16 SbP 63 m c4.7023; 4.7023; 7.7951
90; 90; 120		149.27Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Journal of the American Chemical Society, 2013, 135, 11840-11848
4120251 CIFAg0.86 Ca0.87 Pr0.14 SbP 63 m c4.7057; 4.7057; 7.788
90; 90; 120		149.35Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Journal of the American Chemical Society, 2013, 135, 11840-11848
4120252 CIFAg0.87 Ca0.86 Nd0.14 SbP 63 m c4.6931; 4.6931; 7.753
90; 90; 120		147.88Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Journal of the American Chemical Society, 2013, 135, 11840-11848
4120253 CIFAg0.88 Ca0.83 Sb Sm0.17P 63 m c4.7008; 4.7008; 7.759
90; 90; 120		148.48Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Journal of the American Chemical Society, 2013, 135, 11840-11848
4124615 CIFGa11.52 K8.88 O96 Si36.48P 63 m c21.03; 21.03; 8.53
90; 90; 120		3267.07Strohmaier, K.G.; Vaughan, D.E.W.
Structure of the first silicate molecular sieve with 18-ring pore openings, ECR-34
Journal of the American Chemical Society, 2003, 125, 16035-16039
4131893 CIFC4 H11 Br3 Cd Cl NP 63 m c9.514; 9.514; 7.0191
90; 90; 120		550.22Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen
Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.
Journal of the American Chemical Society, 2018, 140, 3975-3980
4131894 CIFC4 H11 Br3 Cd Cl NP 63 m c9.402; 9.402; 6.977
90; 90; 120		534.1Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen
Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.
Journal of the American Chemical Society, 2018, 140, 3975-3980
4132587 CIFC9 H30 Br7 Mn2 N3P 63 m c14.8607; 14.8607; 6.7012
90; 90; 120		1281.63Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132588 CIFC9 H30 Br7 Mn2 N3P 63 m c14.9319; 14.9319; 6.7338
90; 90; 120		1300.23Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132589 CIFC9 H30 Br7 Mn2 N3P 63 m c14.7885; 14.7885; 6.6738
90; 90; 120		1264.01Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132590 CIFC9 H30 Br7 Mn2 N3P 63 m c14.6822; 14.6822; 6.6323
90; 90; 120		1238.16Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132591 CIFC9 H30 Br7 Mn2 N3P 63 m c14.8806; 14.8806; 6.7146
90; 90; 120		1287.63Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132592 CIFC9 H30 Br7 Mn2 N3P 63 m c14.747; 14.747; 6.6608
90; 90; 120		1254.48Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4132593 CIFC9 H30 Br7 Mn2 N3P 63 m c15.0014; 15.0014; 6.7669
90; 90; 120		1318.82Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Journal of the American Chemical Society, 2018, 140, 8110-8113
4308619 CIFC12 H32 N18 O4 S12 Se4 W4P 63 m c17.34; 17.34; 10.541
90; 90; 120		2744.8M. Sokolov; P. Esparza; R. Hernandez-Molina; J. G. Platas; A. Mederos; J. A. Gavin; R. Llusar; C. Vicent
Preparation and Properties of the Full Series of Cuboidal Clusters [MoxW4-xSe4(H2O)12]n+ (n= 4-6) and Their Derivatives
Inorganic Chemistry, 2005, 44, 1132-1141
4309877 CIFC9 K5 N9 Se3 Te W3P 63 m c18.6413; 18.6413; 12.9868
90; 90; 120		3908.3Maxim N. Sokolov; Pavel A. Abramov; Artem L. Gushchin; Irina V. Kalinina; Dmitry Y. Naumov; Alexander V. Virovets; Eugenia V. Peresypkina; Cristian Vicent; Rosa Llusar; Vladimir P. Fedin
Synthesis and Reactivity of W3Te74+ Clusters and Chalcogen Exchange in the M3Q7 (M = Mo, W; Q = S, Se, Te) Cluster Family
Inorganic Chemistry, 2005, 44, 8116-8124
4312562 CIFC16 H34.5 Mo N3.5 S3P 63 m c13.549; 13.549; 7.227
90; 90; 120		1149David V. Partyka; Richard J. Staples; R. H. Holm
Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)
Inorganic Chemistry, 2003, 42, 7877-7886
4312887 CIFBr3 Cd CsP 63 m c7.7281; 7.7281; 6.742
90; 90; 120		348.71Peng Ren; Jingui Qin; Chuangtian Chen
A Novel Nonlinear Optical Crystal for the IR Region: Noncentrosymmetrically Crystalline CsCdBr3 and Its Properties
Inorganic Chemistry, 2003, 42, 8-10
4313804 CIFAs1.33 H1.68 Ni2.16 O6.33P 63 m c12.7021; 12.7021; 4.9966
90; 90; 120		698.2Robert W. Hughes; Lee A. Gerrard; Daniel J. Price; Mark T. Weller
A Hybrid Metalloarsenate 3D Framework-1D Interrupted Metal Oxide
Inorganic Chemistry, 2003, 42, 4160-4164
4313805 CIFAs1.33 Co2.22 H1.57 O6.33P 63 m c12.8279; 12.8279; 5.0919
90; 90; 120		725.64Robert W. Hughes; Lee A. Gerrard; Daniel J. Price; Mark T. Weller
A Hybrid Metalloarsenate 3D Framework-1D Interrupted Metal Oxide
Inorganic Chemistry, 2003, 42, 4160-4164
4321633 CIFAs2 Cl2 Hg6 S8P 63 m c7.431; 7.431; 9.003
90; 90; 120		430.5Johannes Beck; Sylvia Hedderich; Klaus Köllisch
Hg3AsE4X (E = S, Se; X = Cl, Br, I), a Family of Isotypic Compounds with an Acentric, Layered Structure
Inorganic Chemistry, 2000, 39, 5847-5850
4321634 CIFAs2 Br2 Hg6 S8P 63 m c7.43; 7.43; 9.364
90; 90; 120		447.7Johannes Beck; Sylvia Hedderich; Klaus Köllisch
Hg3AsE4X (E = S, Se; X = Cl, Br, I), a Family of Isotypic Compounds with an Acentric, Layered Structure
Inorganic Chemistry, 2000, 39, 5847-5850
4321635 CIFAs Br Hg3 Se4P 63 m c7.707; 7.707; 9.468
90; 90; 120		487Johannes Beck; Sylvia Hedderich; Klaus Köllisch
Hg3AsE4X (E = S, Se; X = Cl, Br, I), a Family of Isotypic Compounds with an Acentric, Layered Structure
Inorganic Chemistry, 2000, 39, 5847-5850
4321636 CIFAs Hg3 I Se4P 63 m c7.6902; 7.6902; 9.9675
90; 90; 120		510.5Johannes Beck; Sylvia Hedderich; Klaus Köllisch
Hg3AsE4X (E = S, Se; X = Cl, Br, I), a Family of Isotypic Compounds with an Acentric, Layered Structure
Inorganic Chemistry, 2000, 39, 5847-5850
4326533 CIFB3 Co Rh6P 63 m c7.43; 7.43; 4.7427
90; 90; 120		226.74Patrick R. N. Misse; Michael Gilleßen; Boniface P. T. Fokwa
Site-Preferential Design of Itinerant Ferromagnetic Borides: Experimental and Theoretical Investigation of MRh6B3 (M = Fe, Co)
Inorganic Chemistry, 2011, 50, 10303-10309
4328014 CIFC12 H24 Cl N O3 SnP 63 m c10.3357; 10.3357; 8.3534
90; 90; 120		772.81Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat
Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties
Inorganic Chemistry, 2012, 51, 1041-1056
4329871 CIFC43 H54 Ni6 O3P 63 m c15.637; 15.637; 9.351
90; 90; 120		1980.1Włodzimierz Buchowicz; Beata Herbaczyńska; Lucjan B. Jerzykiewicz; Tadeusz Lis; Stanisław Pasynkiewicz; Antoni Pietrzykowski
Triple C-H Bond Activation of a Nickel-Bound Methyl Group: Synthesis and X-Ray Structure of a Carbide Cluster (NiCp)6(μ6-C)
Inorganic Chemistry, 2012, 51, 8292-8297
4330025 CIFB5 Ca3 Ce1.5 La1.5 O15P 63 m c10.50502; 10.50502; 6.38831
90; 90; 120		610.535Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4330026 CIFB5 Ca3 Ce0.9 La2.1 O15P 63 m c10.5065; 10.5065; 6.40123
90; 90; 120		611.942Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4330027 CIFB5 Ca3 Ce0.3 La2.7 O15P 63 m c10.50803; 10.50803; 6.41329
90; 90; 120		613.273Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4330028 CIFB5 Ca3 Ce0.2 La2.8 O15P 63 m c10.51116; 10.51116; 6.41455
90; 90; 120		613.759Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4330029 CIFB5 Ca3 Ce0.1 La2.9 O15P 63 m c10.509484; 10.509484; 6.418076
90; 90; 120		613.901Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4330030 CIFB5 Ca3 La3 O15P 63 m c10.50975; 10.50975; 6.41935
90; 90; 120		614.054Chunmeng Liu; Hongbin Liang; Xiaojun Kuang; Jiuping Zhong; Shuaishuai Sun; Ye Tao
Structure Refinement and Two-Center Luminescence of Ca3La3(BO3)5: Ce3+ under VUV-UV Excitation
Inorganic Chemistry, 2012, 51, 8802-8809
4332713 CIFC8 H20 Br4 Fe NP 63 m c8.3774; 8.3774; 13.631
90; 90; 120		828.5Rohde, Jan-Uwe; Stubna, Audria; Bominaar, Emile L.; Münck, Eckard; Nam, Wonwoo; Que, Lawrence
Nonheme Oxoiron(IV) Complexes of Tris(2-pyridylmethyl)amine withcis-Monoanionic Ligands
Inorganic Chemistry, 2006, 45, 6435-6445
4334358 CIFC40 H90 Ce3 O11P 63 m c18.116; 18.116; 10.989
90; 90; 120		3123.3Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur
Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))
Inorganic Chemistry, 2013, 52, 4002-4010
4335640 CIFC H5 I3 N2 PbP 63 m c8.6603; 8.6603; 7.9022
90; 90; 120		513.27Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
Inorganic Chemistry, 2013, 52, 9019-9038
4340466 CIFC8 Ca5 Cs Na5 O24P 63 m c10.0845; 10.0845; 12.7055
90; 90; 120		1119Luo, Min; Wang, GenXiang; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan
Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.
Inorganic chemistry, 2014, 53, 8098
4340467 CIFC5 La2 Na4 O15P 63 m c10.55; 10.55; 6.47
90; 90; 120		624Luo, Min; Wang, GenXiang; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan
Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.
Inorganic chemistry, 2014, 53, 8098
4341700 CIFBa2 Ga8 S16 SiP 63 m c10.866; 10.866; 11.919
90; 90; 120		1218.7Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao
Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge).
Inorganic chemistry, 2015, 54, 976-981
4341701 CIFBa2 Ga8 Ge S16P 63 m c10.8868; 10.8868; 11.9152
90; 90; 120		1223.02Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao
Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge).
Inorganic chemistry, 2015, 54, 976-981
4342327 CIFAl Ca3 Na3 Sb4P 63 m c10.0121; 10.0121; 7.6045
90; 90; 120		660.16Wang, Yi; Stoyko, Stanislav; Bobev, Svilen
Quaternary Pnictides with Complex, Noncentrosymmetric Structures. Synthesis and Structural Characterization of the New Zintl Phases Na11Ca2Al3Sb8, Na4CaGaSb3, and Na15Ca3In5Sb12.
Inorganic chemistry, 2015, 54, 1931-1939
4342920 CIFO6 Rb Sc Se2P 63 m c5.5929; 5.5929; 12.2326
90; 90; 120		331.378Song, Seung Yoon; Ok, Kang Min
Modulation of Framework and Centricity: Cation Size Effect in New Quaternary Selenites, ASc(SeO3)2 (A = Na, K, Rb, and Cs).
Inorganic chemistry, 2015, 54, 5032-5038
4343168 CIFC3 H3 B O16 Pb7P 63 m c10.519; 10.519; 8.9
90; 90; 120		852.8Abudoureheman, Maierhaba; Wang, Li; Zhang, Xianming; Yu, Hongwei; Yang, Zhihua; Lei, Chen; Han, Jian; Pan, Shilie
Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response.
Inorganic chemistry, 2015, 54, 4138-4142

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 7 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.