Crystallography Open Database

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1545302 CIFAuP 63/m m c2.9; 2.9; 4.88
90; 90; 120
35.542Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.
Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface
Scientific Reports, 2017, 7, 42420
2020909 CIF
HKL
C3 B Li0.96P -6 m 22.5408; 2.5408; 7.5989
90; 90; 120
42.484Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut
LiBC~3~: a new borocarbide based on graphene and heterographene networks
Acta Crystallographica Section C, 2017, 73, 984-989
1548344 CIFGa0.3333 Ge0.3333 N Zn0.3333P 63 m c3.19186; 3.19186; 5.18498
90; 90; 120
45.7473Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi
Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst
The Journal of Physical Chemistry C, 2017, 121, 27590
4345461 CIFC0.97 Al0.89 Mn3.11P m -3 m3.875; 3.875; 3.875
90; 90; 90
58.19Dierkes, Hannes; van Leusen, Jan; Bogdanovski, Dimitri; Dronskowski, Richard
Synthesis, Crystal Structure, Magnetic Properties, and Stability of the Manganese-Rich "Mn3AlC" κ Phase.
Inorganic chemistry, 2017, 56, 1045-1048
1545919 CIFBi0.5 K0.5 O3 TiP 4 m m3.9071; 3.9071; 3.9571
90; 90; 90
60.407Mahmood, Natheer B.; Al-Shakarchi, Emad K.
Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT
Journal of Modern Physics, 2017, 8, 844-851
7043109 CIFNb0.4 O3 Sr0.8 Ti0.6P m -3 m3.928119; 3.928119; 3.928119
90; 90; 90
60.6113Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043106 CIFNb0.4 O3 Sr0.8 Ti0.6P m -3 m3.93076; 3.93076; 3.93076
90; 90; 90
60.7337Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043104 CIFNb0.4 O3 Sr0.8 Ti0.54 Zr0.06P m -3 m3.942582; 3.942582; 3.942582
90; 90; 90
61.2833Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043110 CIFNb0.4 O3 Sr0.8 Ti0.54 Zr0.06P m -3 m3.943; 3.943; 3.943
90; 90; 90
61.3028Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043102 CIFNb0.4 O3 Sr0.8 Ti0.48 Zr0.12P m -3 m3.956674; 3.956674; 3.956674
90; 90; 90
61.9428Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
1547150 CIFNb0.5 Ni0.25 O2 Ti0.25P 42/m n m4.69413; 4.69413; 3.02187
90; 90; 90
66.5865Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547148 CIFCo0.05 Nb0.5 Ni0.2 O2 Ti0.25P 42/m n m4.69708; 4.69708; 3.02426
90; 90; 90
66.7229Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547149 CIFCo0.1 Nb0.5 Ni0.15 O2 Ti0.25P 42/m n m4.69859; 4.69859; 3.02607
90; 90; 90
66.8058Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547147 CIFCo0.15 Nb0.5 Ni0.1 O2 Ti0.25P 42/m n m4.70025; 4.70025; 3.02805
90; 90; 90
66.8967Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547146 CIFCo0.2 Nb0.5 Ni0.05 O2 Ti0.25P 42/m n m4.7024; 4.7024; 3.03052
90; 90; 90
67.0126Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547151 CIFCo0.25 Nb O2 Ti0.25P 42/m n m4.70411; 4.70411; 3.03242
90; 90; 90
67.1034Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1560356 CIFBa Li0.19 N0.2 Nb0.81 O2.8P m -3 m4.115489; 4.115489; 4.115489
90; 90; 90
69.7051Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
1560358 CIFBa Mg0.19 N0.47 Nb0.81 O2.53P m -3 m4.11972; 4.11972; 4.11972
90; 90; 90
69.9203Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
1547847 CIFBa N Nb O2P m -3 m4.12829; 4.12829; 4.12829
90; 90; 90
70.3575Fujii, K.; Shimada, K.; Yashima, M.
Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction
Journal of the Ceramic Society of Japan, 2017, 125, 808-810
1560357 CIFBa N0.25 Na0.21 Nb0.79 O2.75P m -3 m4.14577; 4.14577; 4.14577
90; 90; 90
71.255Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
7228524 CIFSeP 31 2 14.3125; 4.3125; 4.9711
90; 90; 120
80.065Boeré, René; Hill, Nathan D. D.
High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls
CrystEngComm, 2017
4345680 CIFGa Re SiP 4/n m m3.1942; 3.1942; 8.054
90; 90; 90
82.17Xie, Weiwei; Gustin, Lea; Bian, Guang
111-Type Semiconductor ReGaSi Follows 14e(-) Rules.
Inorganic chemistry, 2017
4126741 CIFFe2 O4.846 YbP -13.4659; 3.4659; 8.3694
90; 90; 120
87.068Nicoud, Sarah; Huvé, Marielle; Hernandez, Olivier; Pautrat, Alain; Duttine, Mathieu; Wattiaux, Alain; Colin, Claire; Kabbour, Houria; Mentré, Olivier
Comprehensive Study of Oxygen Storage in YbFe2O4+x (x ≤ 0.5): Unprecedented Coexistence of FeOn Polyhedra in One Single Phase.
Journal of the American Chemical Society, 2017
4002732 CIFCa N2 TiP m m n :23.9365; 3.6131; 7.5421
90; 90; 90
107.27Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran
High-Dielectric-Permittivity Layered Nitride CaTiN2
Chemistry of Materials, 2017
4002733 CIFCa N2 TiP 21 m n3.9365; 3.6137; 7.543
90; 90; 90
107.3Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran
High-Dielectric-Permittivity Layered Nitride CaTiN2
Chemistry of Materials, 2017
7120700 CIFBi NiC m c m3.3873; 9.4079; 3.7587
90; 90; 90
119.78Powderly, Kelly M.; Clarke, Samantha M.; Amsler, Maximilian; Wolverton, Chris M.; Malliakas, Christos D.; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna
High-pressure discovery of β-NiBi
Chem. Commun., 2017
8106647 CIFC4 H5 N3 O2P 13.8976; 5.7235; 6.267
89.63; 84.8; 76.97
135.63Jianlong, Wang; Pengbao, Lian; Lizhen, Chen
Crystal structure of the triclinic modification of 1-methyl-4-nitroimidzole, C4H5N3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 699-700
1547850 CIFAg0.41 Nb0.59 O1.68F m -3 m5.286; 5.286; 5.286
90; 90; 90
147.7Withanage, I.; Kumada, N.; Takei, T.; Yanagida, S.; Kuroiwa, Y.; Moriyoshi, C.
Synthesis and crystal structure of pyrochlore-type silver niobate and tantalate
Journal of the Ceramic Society of Japan, 2017, 125, 776-778
1546929 CIFC2 D5 N O2P 1 n 15.023; 5.9846; 5.4946
90; 114.654; 90
150.11Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.
ζ-Glycine: insight into the mechanism of a polymorphic phase transition
IUCrJ, 2017, 4, 569-574
1546928 CIFC2 D5 N O2I 15.1; 6.285; 5.4295
85.815; 114.456; 104.136
153.545Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.
ζ-Glycine: insight into the mechanism of a polymorphic phase transition
IUCrJ, 2017, 4, 569-574
1546931 CIFC2 D5 N O2I 15.1029; 6.345; 5.4331
85.91; 114.26; 103.55
155.85Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.
ζ-Glycine: insight into the mechanism of a polymorphic phase transition
IUCrJ, 2017, 4, 569-574
2242273 CIF
Paper
Ce H2 O6 P2P -3 m 15.6859; 5.6859; 5.6099
90; 90; 120
157.067Byer, Stefano H.; Villa, Eric M.
Synthesis and crystal structure of cerium(IV) bis(phosphite)
Acta Crystallographica Section E, 2017, 73, 1290-1293
1546930 CIFC2 D5 N O2P 1 21 15.0907; 6.25954; 5.3871
90; 113.261; 90
157.709Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.
ζ-Glycine: insight into the mechanism of a polymorphic phase transition
IUCrJ, 2017, 4, 569-574
7227257 CIFAl Ca Gd O4I 4/m m m3.6632; 3.6632; 11.998
90; 90; 90
161Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang
The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties
CrystEngComm, 2017, 19, 537
2108042 CIF
HKL
Al4.847 O9.577 Si1.153P b a m7.5817; 7.6752; 2.8843
90; 90; 90
167.84Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
4002817 CIFBi CuP m m a5.188995; 4.230802; 7.86657
90; 90; 90
172.7Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.
Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study
Chemistry of Materials, 2017, 29, 5276
4002757 CIFB2 Mg1.33 Mn0.66 O5P -13.18809; 6.2021; 9.36747
104.556; 90.5538; 92.0289
179.131Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.
MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries
Chemistry of Materials, 2017, 29, 3118
4002758 CIFB2 Mg Mn O5P -13.20758; 6.2134; 9.4127
104.623; 90.511; 92.012
181.376Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.
MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries
Chemistry of Materials, 2017, 29, 3118
1548796 CIF
HKL
Paper
O2 TeP 21 21 214.8809; 8.5668; 4.3433
90; 90; 90
181.609Weil, Matthias
Redetermination of the γ-form of tellurium dioxide
IUCrData, 2017, 2
4002700 CIFGd H2 N O5P 1 21 16.355; 3.723; 7.749
90; 96.919; 90
182Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning
Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems
Chemistry of Materials, 2017
4002756 CIFB2 Mg0.66 Mn1.33 O5P -13.23914; 6.2347; 9.4884
104.736; 90.6239; 91.943
185.172Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.
MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries
Chemistry of Materials, 2017, 29, 3118
3500064 CIFC2 Na2 O4P 1 21/c 13.48379; 5.2591; 10.42762
90; 93.0959; 90
190.772Armel Le Bail
Rietveld refinement of the structure of Na2C2O4
Personal communication to COD, 2017
7155755 CIFC3 Br NP 1 21/m 15.095; 6.1734; 6.2035
90; 95.735; 90
194.14Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann
One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.
Organic & biomolecular chemistry, 2017
1546777 CIFB2 Ca O8 Si2P -15.479; 5.532; 6.681
91.74; 104.57; 95.59
194.7Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid
A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite
IUCrJ, 2017, 4
4002701 CIFH2 La N O5P 1 21 16.495; 3.967; 7.784
90; 99.913; 90
197.6Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning
Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems
Chemistry of Materials, 2017
7227895 CIFC6 H4 Cl2 N2 NiP 1 1 m9.50494; 7.58104; 3.513186
90; 90; 128.019
199.433Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.
4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction
CrystEngComm, 2017, 19, 2216
1556752 CIFCu1.95 SeF m -3 m5.8449; 5.8449; 5.8449
90; 90; 90
199.678Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.
Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.
IUCrJ, 2017, 4, 476-485
1547158 CIFNi0.25 O2 Ta0.5 Ti0.25P 42/m n m4.6946; 4.6946; 9.0829
90; 90; 90
200.18Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547157 CIFCo0.05 Ni0.2 O2 Ta0.5 Ti0.25P 42/m n m4.6973; 4.6973; 9.0891
90; 90; 90
200.548Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1556753 CIFCu1.94 SeF m -3 m5.8538; 5.8538; 5.8538
90; 90; 90
200.592Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B.
Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se.
IUCrJ, 2017, 4, 476-485
1547156 CIFCo0.1 Ni0.15 O2 Ta0.5 Ti0.25P 42/m n m4.6989; 4.6989; 9.094
90; 90; 90
200.79Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547155 CIFCo0.15 Ni0.1 O2 Ta0.5 Ti0.25P 42/m n m4.6998; 4.6998; 9.0986
90; 90; 90
200.971Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
2108027 CIF
HKL
Paper
Fe2 O3C 1 2/c 19.61865; 5.03554; 13.75158
90; 162.404; 90
201.349Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
1547153 CIFCo0.2 Ni0.05 O2 Ta0.5 Ti0.25P 42/m n m4.7024; 4.7024; 9.1061
90; 90; 90
201.359Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
1547154 CIFCo0.25 O2 Ta0.5 Ti0.25P 42/m n m4.7065; 4.7065; 9.1164
90; 90; 90
201.939Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Journal of Asian Ceramic Societies, 2017, 289, 5-284
4345406 CIFBa Ge2 Ni2I 4/m m m4.26654; 4.26654; 11.2544
90; 90; 90
204.868Hlukhyy, Viktor; Trots, Dmytro; Fässler, Thomas F
First-Order Phase Transition in BaNi2Ge2 and the Influence of the Valence Electron Count on Distortion of the ThCr2Si2 Structure Type.
Inorganic chemistry, 2017, 56, 1173-1185
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
2108028 CIF
HKL
Paper
Fe2 O3C 1 2/c 19.6892; 5.08737; 13.84868
90; 162.351; 90
206.967Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
1545320 CIFC H6 Br3 N PbP m -3 m5.9195; 5.9195; 5.9195
90; 90; 90
207.422Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier
Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.
Nano letters, 2017, 17, 1727-1732
2020805 CIF
HKL
Paper
H4 Mg Na2 O10 Se2P -15.556; 5.923; 7.224
108.36; 99.07; 106.63
208Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Acta Crystallographica Section C, 2017, 73, 582-587
1545319 CIFC H5 Br3 N2 PbP m -3 m5.96976; 5.96976; 5.96976
90; 90; 90
212.751Elbaz, Giselle A.; Straus, Daniel B.; Semonin, Octavi E.; Hull, Trevor D.; Paley, Daniel W.; Kim, Philip; Owen, Jonathan S.; Kagan, Cherie R.; Roy, Xavier
Unbalanced Hole and Electron Diffusion in Lead Bromide Perovskites.
Nano letters, 2017, 17, 1727-1732
1548859 CIFCa Cl2 Cu3 H7.58 O6.79P -3 m 16.6615; 6.6615; 5.8023
90; 90; 120
222.985Crichton, Wilson A.; Müller, Harald
Centennialite, CaCu3(OH)6Cl2.nH2O, n ≈ 0.7, a new kapellasite-like species, and a reassessment of calumetite
Mineralogical Magazine, 2017, 81, 1105
7227414 CIFC2 H4 N2 O3P 1 21/m 14.8755; 5.9345; 7.808
90; 99.205; 90
223Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott
Lewis Acid stabilization and Activation of Primary N-Nitrosamides
RSC Adv., 2017
1548454 CIFC3 H5 Li O3P 1 21 14.5412; 4.8838; 10.1982
90; 98.226; 90
223.85Mondal, Arobendo; Gaultois, Michael W.; Pell, Andrew J.; Iannuzzi, Marcella; Grey, Clare P.; Hutter, Jürg; Kaupp, Martin
Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.
Journal of chemical theory and computation, 2017
7043489 CIFCl3 Cu3 Gd H6 O6P -3 m 16.7982; 6.7982; 5.6062
90; 90; 120
224.38Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
7043488 CIFCl3 Cu3 H6 O6 SmP -3 m 16.8227; 6.8227; 5.6249
90; 90; 120
226.76Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
7043374 CIFC H N4 O RbP -14.948; 7.1191; 7.4189
67.289; 71.888; 89.451
227.3He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo
Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable
Dalton Trans., 2017
1547566 CIFC4 H4 N2 O2P 1 n 13.8868; 5.4329; 10.8693
90; 97.068; 90
227.78Rozen, Shlomo; Shaffer, Avshalom
Synthesis of N,N-Dioxopyridazines.
Organic letters, 2017, 19, 4707-4709
7043490 CIFCl3 Cu3 H6 Nd O6P -3 m 16.8645; 6.8645; 5.6391
90; 90; 120
230.12Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
2242045 CIF
HKL
Paper
B2 Ga Li3 O6P -14.8731; 6.2429; 8.013
73.346; 89.701; 89.698
233.54Smith, Robert W.; Holman, Darien; Villa, Eric M.
Crystal structure of Li~3~Ga(BO~3~)~2~
Acta Crystallographica Section E, 2017, 73, 456-458
4345256 CIFD0.2 Ge SrC m c m4.7659; 11.8281; 4.1542
90; 90; 90
234.18Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann
In Situ Hydrogenation of the Zintl Phase SrGe
Inorganic Chemistry, 2017, 56, 1072-1079
1548783 CIFF4 N2 Na O6 Pb3I 4/m m m4.04064; 4.04064; 14.39848
90; 90; 90
235.081Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov
One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures
Solid State Sciences, 2017, 71, 111-116
2242228 CIF
HKL
Paper
Ba Cu0.34 S3 Ta0.66P 63/m m c6.835; 6.835; 5.8318
90; 90; 120
235.94Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang
Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~
Acta Crystallographica Section E, 2017, 73, 713-715
4518393 CIF
HKL
C12 H6 N4P -13.7577; 5.8815; 10.9271
94.985; 94.575; 94.803
238.82Peter, Aneeshma; Mohan, Midhun; Maris, Thierry; Wuest, James D.; Duong, Adam
Comparing Crystallizations in Three Dimensions and Two Dimensions: Behavior of Isomers of [2,2?-Bipyridine]dicarbonitrile and [1,10-Phenanthroline]dicarbonitrile
Crystal Growth and Design, 2017, 17, 5242-5248
4125879 CIFC H5.15 Br0.45 I2.55 N1.85 PbP m -3 m6.2242; 6.2242; 6.2242
90; 90; 90
241.13Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun
Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals.
Journal of the American Chemical Society, 2017, 139, 3320-3323
4002872 CIFC4 H4 Co N14P -15.2315; 6.0448; 8.497
71.411; 74.31; 79.01
243.58Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong
Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances
Chemistry of Materials, 2017, 29, 9725
2021890 CIF
Paper
B2 O5 Sr2P 1 21/c 13.882; 5.3386; 11.875
90; 92.64; 90
245.84Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
7043105 CIFNb0.4 O3 Sr0.8 Ti0.48 Zr0.12I 4/m c m5.595; 5.595; 7.9158
90; 90; 90
247.8Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
2021892 CIF
Paper
B2 O5 Sr2P -13.9001; 5.3685; 11.8671
89.994; 92.008; 90.038
248.32Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021893 CIF
Paper
B2 O5 Sr2P 1 21/c 13.9125; 5.3699; 11.8732
90; 91.849; 90
249.323Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
7236651 CIFC H6 I3 N PbP m -3 m6.3026; 6.3026; 6.3026
90; 90; 90
250.36Ju, Dianxing; Zhao, Tianyu; Yangyang, Dang; Zhang, Guodong; Hu, Xiaobo; Cui, Deliang; Tao, Xutang
Gas induced conversion of hybrid perovskite single crystal to single crystal for great enhancement of their photoelectric properties
Journal of Materials Chemistry A, 2017, 5, 21919
7236561 CIFC H5.85 I3 N1.15 PbP m -3 m6.3191; 6.3191; 6.3191
90; 90; 90
252.328Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping
The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals
Journal of Materials Chemistry A, 2017, 5, 8537
7042858 CIFC H4 Cl2 SiP -15.9079; 6.3658; 8.112
103.99; 96.08; 116.596
256.52Wagler, Jörg; Gericke, Robert
Molecular structures of various alkyldichlorosilanes in the solid state
Dalton Trans., 2017
7043111 CIFNb0.4 O3 Sr0.8 Ti0.24 Zr0.36I 4/m c m5.664962; 5.664962; 8.01659
90; 90; 90
257.267Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043103 CIFNb0.4 O3 Sr0.8 Ti0.24 Zr0.36I 4/m c m5.6682; 5.6682; 8.017
90; 90; 90
257.57Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
1560509 CIFCd2 O11 Te2 V2P -15.3673; 5.7139; 9.0124
80.268; 73.866; 78.544
258.31Konatham, Satish; Vidyasagar, Kanamaluru
Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO 5 (OH), Cd 2 V 2 Te 2 O 11 , Ca 3 VSe 4 O 13 ·H 2 O and Ba 2 VSe 3 O 10
Journal of Solid State Chemistry, 2017, 249, 39-45
7236563 CIFC H5 I3 N2 PbP -4 3 m6.3691; 6.3691; 6.3691
90; 90; 90
258.365Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping
The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals
Journal of Materials Chemistry A, 2017, 5, 8537
7228817 CIFN2 O Pr TaP n m a5.6848; 8.0116; 5.6808
90; 90; 90
258.728Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya
Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)
Phys. Chem. Chem. Phys., 2017
7236562 CIFC H5.15 I3 N1.85 PbP m -3 m6.3749; 6.3749; 6.3749
90; 90; 90
259.07Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping
The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals
Journal of Materials Chemistry A, 2017, 5, 8537
1560353 CIFLi0.19 N0.23 Nb0.81 O2.77 SrI 4/m c m5.67715; 5.67715; 8.0495
90; 90; 90
259.44Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
1560355 CIFMg0.22 N0.4 Nb0.78 O2.6 SrI 4/m c m5.67651; 5.67651; 8.0758
90; 90; 90
260.22Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
7042128 CIFCu Fe K0.94 Te2I 4/m m m4.2148; 4.2148; 14.7286
90; 90; 90
261.65Sun, Fan; Guo, Zhongnan; Liu, Ning; Lin, Kun; Wang, Da; Yuan, Wenxia
KFeCuTe2: a new compound to study the removal of interstitial Fe in layered tellurides.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 3649-3654
7043107 CIFNb0.4 O3 Sr0.8 Ti0.12 Zr0.48I 4/m c m5.694282; 5.694282; 8.077236
90; 90; 90
261.903Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
4002871 CIFC4 H4 Cd N14P -15.3664; 6.2313; 8.7401
70.5; 73.152; 79.38
262.43Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong
Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances
Chemistry of Materials, 2017, 29, 9725
7228816 CIFLa N2 O TaI m m a5.70714; 8.0548; 5.74023
90; 90; 90
263.878Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya
Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr)
Phys. Chem. Chem. Phys., 2017
7044476 CIFAg F2P b c n5.476; 8.331; 5.787
90; 90; 90
264Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W.
Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2
Dalton Trans., 2017
1547848 CIFN Nb O2 SrI 4/m c m5.71115; 5.71115; 8.10243
90; 90; 90
264.279Fujii, K.; Shimada, K.; Yashima, M.
Crystal-structure and electron-density analyses of the perovskite-type oxynitrides BaNbO2N and SrNbO2N through synchrotron X-ray powder diffraction
Journal of the Ceramic Society of Japan, 2017, 125, 808-810
1560354 CIFN0.18 Na0.2 Nb0.8 O2.82 SrI 4/m c m5.71841; 5.71841; 8.1222
90; 90; 90
265.6Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il
Crystal structure and optical property of complex perovskite oxynitrides ALi 0.2 Nb 0.8 O 2.8 N 0.2 , ANa 0.2 Nb 0.8 O 2.8 N 0.2 , and AMg 0.2 Nb 0.8 O 2.6 N 0.4 (A = Sr, Ba)
Journal of Solid State Chemistry, 2017, 254, 1-8
4125845 CIFC F K Mg O3P -6 2 m8.8437; 8.8437; 3.9254
90; 90; 120
265.878Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv
Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.
Journal of the American Chemical Society, 2017, 139, 1285-1295
7043112 CIFNb0.4 O3 Sr0.8 Zr0.6I 4/m c m5.725077; 5.725077; 8.132035
90; 90; 90
266.54Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017

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