Crystallography Open Database
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Searching year of publication is 2017
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1545302 | CIF | Au | P 63/m m c | 2.9; 2.9; 4.88 90; 90; 120 | 35.542 | Jany, 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 Li0.96 | P -6 m 2 | 2.5408; 2.5408; 7.5989 90; 90; 120 | 42.484 | Milashius, 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 | CIF | Ga0.3333 Ge0.3333 N Zn0.3333 | P 63 m c | 3.19186; 3.19186; 5.18498 90; 90; 120 | 45.7473 | Suehiro, 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 | CIF | C0.97 Al0.89 Mn3.11 | P m -3 m | 3.875; 3.875; 3.875 90; 90; 90 | 58.19 | Dierkes, 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 | CIF | Bi0.5 K0.5 O3 Ti | P 4 m m | 3.9071; 3.9071; 3.9571 90; 90; 90 | 60.407 | Mahmood, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.6 | P m -3 m | 3.928119; 3.928119; 3.928119 90; 90; 90 | 60.6113 | Whittle, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.6 | P m -3 m | 3.93076; 3.93076; 3.93076 90; 90; 90 | 60.7337 | Whittle, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 | P m -3 m | 3.942582; 3.942582; 3.942582 90; 90; 90 | 61.2833 | Whittle, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.54 Zr0.06 | P m -3 m | 3.943; 3.943; 3.943 90; 90; 90 | 61.3028 | Whittle, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 | P m -3 m | 3.956674; 3.956674; 3.956674 90; 90; 90 | 61.9428 | Whittle, 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 | CIF | Nb0.5 Ni0.25 O2 Ti0.25 | P 42/m n m | 4.69413; 4.69413; 3.02187 90; 90; 90 | 66.5865 | Kumada, 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 | CIF | Co0.05 Nb0.5 Ni0.2 O2 Ti0.25 | P 42/m n m | 4.69708; 4.69708; 3.02426 90; 90; 90 | 66.7229 | Kumada, 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 | CIF | Co0.1 Nb0.5 Ni0.15 O2 Ti0.25 | P 42/m n m | 4.69859; 4.69859; 3.02607 90; 90; 90 | 66.8058 | Kumada, 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 | CIF | Co0.15 Nb0.5 Ni0.1 O2 Ti0.25 | P 42/m n m | 4.70025; 4.70025; 3.02805 90; 90; 90 | 66.8967 | Kumada, 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 | CIF | Co0.2 Nb0.5 Ni0.05 O2 Ti0.25 | P 42/m n m | 4.7024; 4.7024; 3.03052 90; 90; 90 | 67.0126 | Kumada, 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 | CIF | Co0.25 Nb O2 Ti0.25 | P 42/m n m | 4.70411; 4.70411; 3.03242 90; 90; 90 | 67.1034 | Kumada, 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 | CIF | Ba Li0.19 N0.2 Nb0.81 O2.8 | P m -3 m | 4.115489; 4.115489; 4.115489 90; 90; 90 | 69.7051 | Moon, 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 | CIF | Ba Mg0.19 N0.47 Nb0.81 O2.53 | P m -3 m | 4.11972; 4.11972; 4.11972 90; 90; 90 | 69.9203 | Moon, 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 | CIF | Ba N Nb O2 | P m -3 m | 4.12829; 4.12829; 4.12829 90; 90; 90 | 70.3575 | Fujii, 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 | CIF | Ba N0.25 Na0.21 Nb0.79 O2.75 | P m -3 m | 4.14577; 4.14577; 4.14577 90; 90; 90 | 71.255 | Moon, 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 | CIF | Se | P 31 2 1 | 4.3125; 4.3125; 4.9711 90; 90; 120 | 80.065 | Boeré, 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 | CIF | Ga Re Si | P 4/n m m | 3.1942; 3.1942; 8.054 90; 90; 90 | 82.17 | Xie, Weiwei; Gustin, Lea; Bian, Guang 111-Type Semiconductor ReGaSi Follows 14e(-) Rules. Inorganic chemistry, 2017 |
4126741 | CIF | Fe2 O4.846 Yb | P -1 | 3.4659; 3.4659; 8.3694 90; 90; 120 | 87.068 | Nicoud, 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 | CIF | Ca N2 Ti | P m m n :2 | 3.9365; 3.6131; 7.5421 90; 90; 90 | 107.27 | Li, 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 | CIF | Ca N2 Ti | P 21 m n | 3.9365; 3.6137; 7.543 90; 90; 90 | 107.3 | Li, 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 | CIF | Bi Ni | C m c m | 3.3873; 9.4079; 3.7587 90; 90; 90 | 119.78 | Powderly, 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 | CIF | C4 H5 N3 O2 | P 1 | 3.8976; 5.7235; 6.267 89.63; 84.8; 76.97 | 135.63 | Jianlong, 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 | CIF | Ag0.41 Nb0.59 O1.68 | F m -3 m | 5.286; 5.286; 5.286 90; 90; 90 | 147.7 | Withanage, 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 | CIF | C2 D5 N O2 | P 1 n 1 | 5.023; 5.9846; 5.4946 90; 114.654; 90 | 150.11 | Bull, 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 | CIF | C2 D5 N O2 | I 1 | 5.1; 6.285; 5.4295 85.815; 114.456; 104.136 | 153.545 | Bull, 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 | CIF | C2 D5 N O2 | I 1 | 5.1029; 6.345; 5.4331 85.91; 114.26; 103.55 | 155.85 | Bull, 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 P2 | P -3 m 1 | 5.6859; 5.6859; 5.6099 90; 90; 120 | 157.067 | Byer, Stefano H.; Villa, Eric M. Synthesis and crystal structure of cerium(IV) bis(phosphite) Acta Crystallographica Section E, 2017, 73, 1290-1293 |
1546930 | CIF | C2 D5 N O2 | P 1 21 1 | 5.0907; 6.25954; 5.3871 90; 113.261; 90 | 157.709 | Bull, 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 | CIF | Al Ca Gd O4 | I 4/m m m | 3.6632; 3.6632; 11.998 90; 90; 90 | 161 | Hu, 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 Si1.153 | P b a m | 7.5817; 7.6752; 2.8843 90; 90; 90 | 167.84 | Klar, 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 | CIF | Bi Cu | P m m a | 5.188995; 4.230802; 7.86657 90; 90; 90 | 172.7 | Clarke, 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 | CIF | B2 Mg1.33 Mn0.66 O5 | P -1 | 3.18809; 6.2021; 9.36747 104.556; 90.5538; 92.0289 | 179.131 | Glass, 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 | CIF | B2 Mg Mn O5 | P -1 | 3.20758; 6.2134; 9.4127 104.623; 90.511; 92.012 | 181.376 | Glass, 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 Te | P 21 21 21 | 4.8809; 8.5668; 4.3433 90; 90; 90 | 181.609 | Weil, Matthias Redetermination of the γ-form of tellurium dioxide IUCrData, 2017, 2 |
4002700 | CIF | Gd H2 N O5 | P 1 21 1 | 6.355; 3.723; 7.749 90; 96.919; 90 | 182 | Song, 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 | CIF | B2 Mg0.66 Mn1.33 O5 | P -1 | 3.23914; 6.2347; 9.4884 104.736; 90.6239; 91.943 | 185.172 | Glass, 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 | CIF | C2 Na2 O4 | P 1 21/c 1 | 3.48379; 5.2591; 10.42762 90; 93.0959; 90 | 190.772 | Armel Le Bail Rietveld refinement of the structure of Na2C2O4 Personal communication to COD, 2017 |
7155755 | CIF | C3 Br N | P 1 21/m 1 | 5.095; 6.1734; 6.2035 90; 95.735; 90 | 194.14 | Ligny, 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 | CIF | B2 Ca O8 Si2 | P -1 | 5.479; 5.532; 6.681 91.74; 104.57; 95.59 | 194.7 | Pakhomova, 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 | CIF | H2 La N O5 | P 1 21 1 | 6.495; 3.967; 7.784 90; 99.913; 90 | 197.6 | Song, 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 | CIF | C6 H4 Cl2 N2 Ni | P 1 1 m | 9.50494; 7.58104; 3.513186 90; 90; 128.019 | 199.433 | Zhao, 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 | CIF | Cu1.95 Se | F m -3 m | 5.8449; 5.8449; 5.8449 90; 90; 90 | 199.678 | Eikeland, 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 | CIF | Ni0.25 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.6946; 4.6946; 9.0829 90; 90; 90 | 200.18 | Kumada, 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 | CIF | Co0.05 Ni0.2 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.6973; 4.6973; 9.0891 90; 90; 90 | 200.548 | Kumada, 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 | CIF | Cu1.94 Se | F m -3 m | 5.8538; 5.8538; 5.8538 90; 90; 90 | 200.592 | Eikeland, 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 | CIF | Co0.1 Ni0.15 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.6989; 4.6989; 9.094 90; 90; 90 | 200.79 | Kumada, 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 | CIF | Co0.15 Ni0.1 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.6998; 4.6998; 9.0986 90; 90; 90 | 200.971 | Kumada, 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 O3 | C 1 2/c 1 | 9.61865; 5.03554; 13.75158 90; 162.404; 90 | 201.349 | Fabrykiewicz, 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 | CIF | Co0.2 Ni0.05 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.7024; 4.7024; 9.1061 90; 90; 90 | 201.359 | Kumada, 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 | CIF | Co0.25 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.7065; 4.7065; 9.1164 90; 90; 90 | 201.939 | Kumada, 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 | CIF | Ba Ge2 Ni2 | I 4/m m m | 4.26654; 4.26654; 11.2544 90; 90; 90 | 204.868 | Hlukhyy, 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 | CIF | Ag Al | R -3 m | 2.97545; 2.97545; 26.88393 90; 90; 120 | 206.124 | Zhang, 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 O3 | C 1 2/c 1 | 9.6892; 5.08737; 13.84868 90; 162.351; 90 | 206.967 | Fabrykiewicz, 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 | CIF | C H6 Br3 N Pb | P m -3 m | 5.9195; 5.9195; 5.9195 90; 90; 90 | 207.422 | Elbaz, 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 Se2 | P -1 | 5.556; 5.923; 7.224 108.36; 99.07; 106.63 | 208 | Kamburov, 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 | CIF | C H5 Br3 N2 Pb | P m -3 m | 5.96976; 5.96976; 5.96976 90; 90; 90 | 212.751 | Elbaz, 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 | CIF | Ca Cl2 Cu3 H7.58 O6.79 | P -3 m 1 | 6.6615; 6.6615; 5.8023 90; 90; 120 | 222.985 | Crichton, 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 | CIF | C2 H4 N2 O3 | P 1 21/m 1 | 4.8755; 5.9345; 7.808 90; 99.205; 90 | 223 | Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott Lewis Acid stabilization and Activation of Primary N-Nitrosamides RSC Adv., 2017 |
1548454 | CIF | C3 H5 Li O3 | P 1 21 1 | 4.5412; 4.8838; 10.1982 90; 98.226; 90 | 223.85 | Mondal, 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 | CIF | Cl3 Cu3 Gd H6 O6 | P -3 m 1 | 6.7982; 6.7982; 5.6062 90; 90; 120 | 224.38 | Sun, 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 | CIF | Cl3 Cu3 H6 O6 Sm | P -3 m 1 | 6.8227; 6.8227; 5.6249 90; 90; 120 | 226.76 | Sun, 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 | CIF | C H N4 O Rb | P -1 | 4.948; 7.1191; 7.4189 67.289; 71.888; 89.451 | 227.3 | He, 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 | CIF | C4 H4 N2 O2 | P 1 n 1 | 3.8868; 5.4329; 10.8693 90; 97.068; 90 | 227.78 | Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters, 2017, 19, 4707-4709 |
7043490 | CIF | Cl3 Cu3 H6 Nd O6 | P -3 m 1 | 6.8645; 6.8645; 5.6391 90; 90; 120 | 230.12 | Sun, 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 O6 | P -1 | 4.8731; 6.2429; 8.013 73.346; 89.701; 89.698 | 233.54 | Smith, 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 | CIF | D0.2 Ge Sr | C m c m | 4.7659; 11.8281; 4.1542 90; 90; 90 | 234.18 | Auer, Henry; Wallacher, Dirk; Hansen, Thomas Christian; Holger Kohlmann In Situ Hydrogenation of the Zintl Phase SrGe Inorganic Chemistry, 2017, 56, 1072-1079 |
1548783 | CIF | F4 N2 Na O6 Pb3 | I 4/m m m | 4.04064; 4.04064; 14.39848 90; 90; 90 | 235.081 | Dmitri 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 Ta0.66 | P 63/m m c | 6.835; 6.835; 5.8318 90; 90; 120 | 235.94 | Bu, 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 N4 | P -1 | 3.7577; 5.8815; 10.9271 94.985; 94.575; 94.803 | 238.82 | Peter, 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 | CIF | C H5.15 Br0.45 I2.55 N1.85 Pb | P m -3 m | 6.2242; 6.2242; 6.2242 90; 90; 90 | 241.13 | Xie, 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 | CIF | C4 H4 Co N14 | P -1 | 5.2315; 6.0448; 8.497 71.411; 74.31; 79.01 | 243.58 | Xu, 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 Sr2 | P 1 21/c 1 | 3.882; 5.3386; 11.875 90; 92.64; 90 | 245.84 | Volkov, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.48 Zr0.12 | I 4/m c m | 5.595; 5.595; 7.9158 90; 90; 90 | 247.8 | Whittle, 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 Sr2 | P -1 | 3.9001; 5.3685; 11.8671 89.994; 92.008; 90.038 | 248.32 | Volkov, 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 Sr2 | P 1 21/c 1 | 3.9125; 5.3699; 11.8732 90; 91.849; 90 | 249.323 | Volkov, 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 | CIF | C H6 I3 N Pb | P m -3 m | 6.3026; 6.3026; 6.3026 90; 90; 90 | 250.36 | Ju, 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 | CIF | C H5.85 I3 N1.15 Pb | P m -3 m | 6.3191; 6.3191; 6.3191 90; 90; 90 | 252.328 | Huang, 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 | CIF | C H4 Cl2 Si | P -1 | 5.9079; 6.3658; 8.112 103.99; 96.08; 116.596 | 256.52 | Wagler, Jörg; Gericke, Robert Molecular structures of various alkyldichlorosilanes in the solid state Dalton Trans., 2017 |
7043111 | CIF | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 | I 4/m c m | 5.664962; 5.664962; 8.01659 90; 90; 90 | 257.267 | Whittle, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.24 Zr0.36 | I 4/m c m | 5.6682; 5.6682; 8.017 90; 90; 90 | 257.57 | Whittle, 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 | CIF | Cd2 O11 Te2 V2 | P -1 | 5.3673; 5.7139; 9.0124 80.268; 73.866; 78.544 | 258.31 | Konatham, 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 | CIF | C H5 I3 N2 Pb | P -4 3 m | 6.3691; 6.3691; 6.3691 90; 90; 90 | 258.365 | Huang, 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 | CIF | N2 O Pr Ta | P n m a | 5.6848; 8.0116; 5.6808 90; 90; 90 | 258.728 | Hojamberdiev, 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 | CIF | C H5.15 I3 N1.85 Pb | P m -3 m | 6.3749; 6.3749; 6.3749 90; 90; 90 | 259.07 | Huang, 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 | CIF | Li0.19 N0.23 Nb0.81 O2.77 Sr | I 4/m c m | 5.67715; 5.67715; 8.0495 90; 90; 90 | 259.44 | Moon, 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 | CIF | Mg0.22 N0.4 Nb0.78 O2.6 Sr | I 4/m c m | 5.67651; 5.67651; 8.0758 90; 90; 90 | 260.22 | Moon, 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 | CIF | Cu Fe K0.94 Te2 | I 4/m m m | 4.2148; 4.2148; 14.7286 90; 90; 90 | 261.65 | Sun, 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 | CIF | Nb0.4 O3 Sr0.8 Ti0.12 Zr0.48 | I 4/m c m | 5.694282; 5.694282; 8.077236 90; 90; 90 | 261.903 | Whittle, 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 | CIF | C4 H4 Cd N14 | P -1 | 5.3664; 6.2313; 8.7401 70.5; 73.152; 79.38 | 262.43 | Xu, 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 | CIF | La N2 O Ta | I m m a | 5.70714; 8.0548; 5.74023 90; 90; 90 | 263.878 | Hojamberdiev, 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 | CIF | Ag F2 | P b c n | 5.476; 8.331; 5.787 90; 90; 90 | 264 | Grzelak, 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 | CIF | N Nb O2 Sr | I 4/m c m | 5.71115; 5.71115; 8.10243 90; 90; 90 | 264.279 | Fujii, 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 | CIF | N0.18 Na0.2 Nb0.8 O2.82 Sr | I 4/m c m | 5.71841; 5.71841; 8.1222 90; 90; 90 | 265.6 | Moon, 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 | CIF | C F K Mg O3 | P -6 2 m | 8.8437; 8.8437; 3.9254 90; 90; 120 | 265.878 | Tran, 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 | CIF | Nb0.4 O3 Sr0.8 Zr0.6 | I 4/m c m | 5.725077; 5.725077; 8.132035 90; 90; 90 | 266.54 | Whittle, 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 |
7043108 | CIF | Nb0.4 O3 Sr0.8 Zr0.6 | I 4/m c m | 5.72625; 5.72625; 8.13217 90; 90; 90 | 266.653 | Whittle, 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 |
7227415 | CIF | C3 H6 N2 O3 | P 1 21/m 1 | 4.7863; 6.0338; 9.375 90; 99.945; 90 | 266.68 | Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott Lewis Acid stabilization and Activation of Primary N-Nitrosamides RSC Adv., 2017 |
1547709 | CIF | C7 H14 I N O4 | P m -3 m | 6.437; 6.437; 6.437 90; 90; 90 | 266.7 | Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions Nature Communications, 2017, 8, 14934 |
1548469 | CIF | Fe0.48 Mg0.52 O3 Si | R -3 :H | 4.7483; 4.7483; 13.665 90; 90; 120 | 266.82 | Luca Bindi; Ming Chen; Xiande Xie Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite Scientific Reports, 2017, 7, 42674 |
7044585 | CIF | Ba2 F2 S2 | C 1 2/m 1 | 6.1014; 6.2138; 7.3925 90; 103.813; 90 | 272.17 | Driss, Dalel; Cadars, Sylvian; Deniard, Philippe; Mévellec, Jean-Yves; Corraze, Benoit; Janod, Etienne; Cario, Laurent Crystal structure and chemical bonding in the mixed anion compound BaSF Dalton Trans., 2017 |
1560571 | CIF | O4 P Sm | P 31 2 1 | 7.038998; 7.038998; 6.370215 90; 90; 120 | 273.342 | Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy) Journal of Solid State Chemistry, 2017, 249, 221-227 |
1560610 | CIF | Ba0.17 In0.17 Ir0.17 La0.17 O | P b n m | 5.7894; 5.7959; 8.1742 90; 90; 90 | 274.28 | Flynn, Joshua; Li, Jun; Ramirez, Arthur P.; Subramanian, M.A. The effect of iridium oxidation state on the electronic properties of perovskite-type solid solutions: Ba2‒La InIrO6 and BaLaIn1‒Ca IrO6 Journal of Solid State Chemistry, 2017, 247, 53-59 |
7042558 | CIF | Na4 Ni O6 Te | P -1 | 5.405; 5.668; 9.565 73.026; 89.644; 80.439 | 276.1 | He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5076-5081 |
7228334 | CIF | Co0.96 Li0.94 O4 P | C m c m | 5.4432; 8.1695; 6.2128 90; 90; 90 | 276.27 | Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4 RSC Adv., 2017, 7, 28069 |
2108167 | CIF | D3 O4 P | P 1 21/c 1 | 5.403; 4.7036; 10.9238 90; 92.633; 90 | 277.32 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
7042497 | CIF | C2 N12 O4 Rb2 | P -1 | 5.3034; 7.0632; 8.5675 66.821; 86.667; 70.964 | 277.98 | Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5033-5040 |
7228333 | CIF | Co0.96 Li0.39 O4 P | C m c m | 5.3385; 8.1763; 6.3716 90; 90; 90 | 278.115 | Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4 RSC Adv., 2017, 7, 28069 |
4002876 | CIF | Fe2 Ge3 | P -4 c 2 | 5.5848; 5.5848; 8.94 90; 90; 90 | 278.84 | Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V. Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance Chemistry of Materials, 2017, 29, 9954 |
7042557 | CIF | Co Na4 O6 Te | P 1 2/c 1 | 5.677; 9.524; 5.485 90; 109.47; 90 | 279.6 | He, Zhangzhen; Guo, Wenbin; Cui, Meiyan; Tang, Yingying Synthesis and magnetic properties of new tellurate compounds Na4MTeO6 (M = Co and Ni) with a ferromagnetic spin-chain structure. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5076-5081 |
4002712 | CIF | Au5.01 Eu In0.99 | I 4/m m m | 7.174; 7.174; 5.4425 90; 90; 90 | 280.11 | Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials Chemistry of Materials, 2017 |
7229761 | CIF | Al1.5 Ca3 Ga1.5 O14 Si2 Ta | P 3 2 1 | 8.0801; 8.0801; 4.9553 90; 90; 120 | 280.18 | Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors RSC Advances, 2017, 7, 56697 |
2108166 | CIF | D3 O4 P | P 1 21/c 1 | 5.4357; 4.7148; 10.9698 90; 92.874; 90 | 280.78 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
7236872 | CIF | C8 H6 N2 O2 S4 | P -1 | 4.7328; 5.6266; 10.8786 81.629; 80.329; 84.727 | 281.86 | Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko Birhodanines and their sulfur analogues for air-stable n-channel organic transistors Journal of Materials Chemistry C, 2017, 5, 9121 |
4002829 | CIF | Al3 Na3 O12 Si3 | P 32 | 5.108967; 5.108967; 12.48752 90; 90; 120 | 282.275 | Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials, 2017, 29, 6552 |
1560576 | CIF | Co Li O4 P | P n m a | 10.2155; 5.9163; 4.7025 90; 90; 90 | 284.21 | Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17 |
1560574 | CIF | Co Li O4 P | P n m a | 10.211; 5.92075; 4.70581 90; 90; 90 | 284.498 | Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17 |
1560575 | CIF | Co Li O4 P | P n m a | 10.2114; 5.92985; 4.70439 90; 90; 90 | 284.861 | Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17 |
4345054 | CIF | Ba D1.86 Si | P n m a | 15.622; 4.1113; 4.4732 90; 90; 90 | 287.3 | Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger Hydrides of Alkaline Earth-Tetrel (AeTt) Zintl Phases: Covalent Tt-H Bonds from Silicon to Tin. Inorganic chemistry, 2017, 56, 1061-1071 |
2108165 | CIF | D3 O4 P | P 1 21/c 1 | 5.5049; 4.7401; 11.0668 90; 93.355; 90 | 288.28 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
7226905 | CIF | C6 H5 N3 | P 1 21/m 1 | 4.3404; 7.7073; 8.6344 90; 91.363; 90 | 288.76 | Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry CrystEngComm, 2017, 19, 11 |
2108164 | CIF | D3 O4 P | P 1 21/c 1 | 5.5356; 4.7522; 11.1169 90; 93.561; 90 | 291.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
4131505 | CIF | C6 H14 Cl3 N2 Rb | P m -3 m | 6.635; 6.635; 6.635 90; 90; 90 | 292.1 | Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society, 2017, 139, 10897-10902 |
1560335 | CIF | Ga H2 K O6 P2 | P 63 m c | 5.2567; 5.2567; 12.2582 90; 90; 120 | 293.348 | Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12 |
2311721 | CIF | C4 H12 Cl4 Fe N | P 1 m 1 | 6.425; 7.148; 6.4274 90; 91.21; 90 | 295.12 | Binns, 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 |
2108163 | CIF | D3 O4 P | P 1 21/c 1 | 5.5686; 4.7647; 11.1762 90; 93.81; 90 | 295.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
4125730 | CIF | Fe Ga O3 | R 3 c :H | 5.01871; 5.01871; 13.5879 90; 90; 120 | 296.392 | Niu, Hongjun; Pitcher, Michael J.; Corkett, Alex J.; Ling, Sanliang; Mandal, Pranab; Zanella, Marco; Dawson, Karl; Stamenov, Plamen; Batuk, Dmitry; Abakumov, Artem M.; Bull, Craig L.; Smith, Ronald I.; Murray, Claire A.; Day, Sarah J.; Slater, Ben; Cora, Furio; Claridge, John B.; Rosseinsky, Matthew J. Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling. Journal of the American Chemical Society, 2017, 139, 1520-1531 |
1556747 | CIF | Cu1.95 Se | R -3 m :H | 4.0922; 4.0922; 20.459 90; 90; 120 | 296.71 | Eikeland, 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 |
2021895 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3457; 3.8195; 6.9699 90; 100.359; 90 | 297.12 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
1556754 | CIF | Cu1.77 Se | R -3 m :H | 4.1017; 4.1017; 20.42 90; 90; 120 | 297.52 | Eikeland, 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 |
7042506 | CIF | C6 H8 N10 O4 | P -1 | 4.1866; 7.2348; 10.3368 81.092; 83.309; 75.044 | 297.88 | Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5033-5040 |
2311728 | CIF | C4 H12 Cl4 Ga N | P 1 m 1 | 6.4571; 7.1456; 6.4596 90; 91.721; 90 | 297.91 | Binns, 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 |
2021896 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.337; 3.8244; 6.9946 90; 100.308; 90 | 298.37 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
2021897 | CIF | O5 Rb2 Ti2 | C 1 2/m 1 | 11.3419; 3.8198; 7.0103 90; 100.298; 90 | 298.82 | Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte The crystal structure of Rb2Ti2O5 Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142 |
1556755 | CIF | Cu1.89 Se | R -3 m :H | 4.1019; 4.1019; 20.533 90; 90; 120 | 299.2 | Eikeland, 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 |
2242241 | CIF HKL Paper | Al0.75 As2 Cr0.25 K O7 | P -1 | 6.243; 6.349; 8.153 96.57; 104.45; 103.08 | 299.8 | Bouhassine, Mohamad Alem; Boughzala, Habib New mixed aluminium‒chromium diarsenate Acta Crystallographica Section E, 2017, 73, 345-348 |
1556751 | CIF | Cu1.95 Se | R -3 m :H | 4.1327; 4.1327; 20.281 90; 90; 120 | 299.98 | Eikeland, 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 |
1556748 | CIF | Cu1.95 Se | R -3 m :H | 4.1227; 4.1227; 20.449 90; 90; 120 | 301 | Eikeland, 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 |
1556750 | CIF | Cu1.95 Se | R -3 m :H | 4.1323; 4.1323; 20.358 90; 90; 120 | 301.06 | Eikeland, 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 |
4126195 | CIF | C14 H10 N2 O2 S2 | P -1 | 3.8141; 5.585; 14.3443 95.385; 96.169; 94.844 | 301.07 | Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers. Journal of the American Chemical Society, 2017, 139, 8355-8363 |
1556749 | CIF | Cu1.95 Se | R -3 m :H | 4.1299; 4.1299; 20.393 90; 90; 120 | 301.22 | Eikeland, 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 |
8106767 | CIF | C10 H10 Br2 N2 Pt | P -1 | 5.659; 7.0204; 7.7623 79.262; 84.603; 88.928 | 301.64 | Ha, Kwang The crystal structure of trans-dibromido-bis(pyridine-κN)platinum(II), C10H10Br2N2Pt Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 1051-1052 |
7229191 | CIF | C4 H6 Cl N3 | P -1 | 4.9992; 7.3893; 8.8313 72.451; 78.656; 79.41 | 302.26 | Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017 |
7119756 | CIF | Mg Mn2 O4 | I 41/a m d :2 | 5.753355; 5.753355; 9.132367 90; 90; 90 | 302.291 | Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J. Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content. Chemical communications (Cambridge, England), 2017, 53, 3665-3668 |
9017853 | CIF | Br0.03 Cl0.02 I0.95 Tl | C m c m | 4.567; 12.803; 5.202 90; 90; 90 | 304.168 | Okrugin, V.; Favero, M.; Liu, A.; Etschmann, B.; Plutachina, E.; Mills, S.; Tomkins, A. G.; Lukasheva, M.; Kozlov, V.; Moskaleva, S.; Chubarov, M.; Brugger, J. Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia Note: T = 100 (2) K American Mineralogist, 2017, 102, 1736-1746 |
2108162 | CIF | D3 O4 P | P 1 21/c 1 | 5.6334; 4.78996; 11.3055 90; 94.255; 90 | 304.22 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
7119755 | CIF | Mg0.25 Mn0.5 O | I 41/a m d :2 | 5.721406; 5.721406; 9.298237 90; 90; 90 | 304.373 | Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; Marschilok, Amy C.; Takeuchi, Kenneth J. Magnesium-ion battery-relevant electrochemistry of MgMn2O4: crystallite size effects and the notable role of electrolyte water content. Chemical communications (Cambridge, England), 2017, 53, 3665-3668 |
4126720 | CIF | In K S6 Sn2 | R -3 m :H | 3.6803; 3.6803; 26.1276 90; 90; 120 | 306.48 | Xiao, Chengliang; Hassanzadeh Fard, Zohreh; Sarma, Debajit; Song, Tze-Bin; Xu, Chao; Kanatzidis, Mercouri G. Highly Efficient Separation of Trivalent Minor Actinides by a Layered Metal Sulfide (KInSn2S6) from Acidic Radioactive Waste. Journal of the American Chemical Society, 2017 |
1560337 | CIF | Ga H2 O6 P2 Rb | P 63 m c | 5.2702; 5.2702; 12.7619 90; 90; 120 | 306.973 | Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12 |
7227841 | CIF | C4 H4 N2 O4 | P 1 21/c 1 | 3.8306; 10.3433; 7.9532 90; 102.516; 90 | 307.63 | Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V. π–hole interactions at work: crystal engineering with nitro-derivatives CrystEngComm, 2017, 19, 1933 |
4345959 | CIF | K N O3 | P n m a | 6.2732; 5.391; 9.1288 90; 90; 90 | 308.725 | Nelyubina, Yulia V.; Korlyukov, Alexander A.; Lyssenko, Konstantin A.; Fedyanin, Ivan V. Transferable Aspherical Atom Modeling of Electron Density in Highly Symmetric Crystals: A Case Study of Alkali-Metal Nitrates. Inorganic chemistry, 2017 |
1560336 | CIF | Ga H6 N O6 P2 | P 63 m c | 5.2576; 5.2576; 12.9113 90; 90; 120 | 309.083 | Hamchaoui, Farida; Alonzo, Véronique; Marlart, Isabelle; Auguste, Sandy; Galven, Cyrille; Rebbah, Houria; Le Fur, Eric Hydrothermal synthesis, structural and thermal characterizations of three open-framework gallium phosphites Journal of Solid State Chemistry, 2017, 255, 8-12 |
2311411 | CIF Paper | Al Cl4 Li | P m n 21 | 7.8273; 6.4466; 6.1304 90; 90; 90 | 309.34 | Prömper, Stephan W; Frank, Walter Lithium tetra-chlorido-aluminate, LiAlCl<sub>4</sub>: a new polymorph (<i>oP</i>12, <i>Pmn</i>2<sub>1</sub>) with Li<sup>+</sup> in tetra-hedral inter-stices. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1426-1429 |
2020899 | CIF HKL Paper | C6 H8 N2 | P 1 21/c 1 | 4.5031; 6.586; 10.572 90; 96.54; 90 | 311.5 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Adiponitrile at 100K Acta Crystallographica Section C, 2017, 73, 937-940 |
7056611 | CIF | C6 H4 F2 N4 O12 | P -1 | 6.1749; 6.3972; 9.0143 78.006; 80.204; 63.912 | 311.56 | Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges New J. Chem., 2017 |
7043829 | CIF | Cu P2 Th | I m m m | 4.0259; 5.5982; 13.863 90; 90; 90 | 312.44 | JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues Dalton Trans., 2017 |
9017279 | CIF | Ca O4 S | B m m b | 7.03276; 7.02381; 6.32712 90; 90; 90 | 312.539 | Xu, H.; Guo, X.; Bai, J. Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K Physics and Chemistry of Minerals, 2017, 44, 125-135 |
2108161 | CIF | D3 O4 P | P 1 21/c 1 | 5.6927; 4.81609; 11.4468 90; 94.704; 90 | 312.77 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
2108158 | CIF | H3 O4 P | P 1 21/c 1 | 5.707; 4.82; 11.436 90; 94.75; 90 | 313.5 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
4131506 | CIF | C6 H14 Br3 N2 Rb | P m -3 m | 6.798; 6.798; 6.798 90; 90; 90 | 314.15 | Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society, 2017, 139, 10897-10902 |
4125853 | CIF | C4 H9 Br3 N2 Rb | P m -3 m | 6.7999; 6.7999; 6.7999 90; 90; 90 | 314.42 | Pan, Qiang; Liu, Zhi-Bo; Tang, Yuan-Yuan; Li, Peng-Fei; Ma, Rong-Wei; Wei, Ru-Yuan; Zhang, Yi; You, Yu-Meng; Ye, Heng-Yun; Xiong, Ren-Gen A Three-Dimensional Molecular Perovskite Ferroelectric: (3-Ammoniopyrrolidinium)RbBr3. Journal of the American Chemical Society, 2017 |
7042146 | CIF | C4 H8 B2 O4 | P 1 21/c 1 | 3.9115; 8.015; 10.187 90; 99.939; 90 | 314.58 | Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B. B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3661-3680 |
2108107 | CIF HKL Paper | C4 H12 I4 N2 | P -1 | 6.4948; 7.4032; 8.0819 64.087; 67.276; 69.593 | 314.73 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
1547992 | CIF | Gd2 O8 S | C 1 2/m 1 | 13.8759; 3.65767; 6.28415 90; 99.0574; 90 | 314.966 | Xuejiao Wang; Maxim Molokeev; Qi Zhu; Ji-Guang Li Controlled Hydrothermal Crystallization of Anhydrous Ln2(OH)4SO4 as a New Family of Layered Rare-Earth Hydroxide (Ln=Eu-Lu and Y) Chemistry A European Journal, 2017, 23, 16034-16043 |
4345788 | CIF | F2 Fe O2 Sb | C 1 2/c 1 | 11.9129; 4.9605; 5.5 90; 103.897; 90 | 315.5 | Ali, Sk Imran; Kremer, Reinhard K.; Johnsson, Mats Hydrothermal Synthesis of the Oxofluoride FeSbO2F2-An Anti-ferromagnetic Spin S = 5/2 Compound. Inorganic chemistry, 2017, 56, 4663-4668 |
2311711 | CIF | Li O3 Ta | R 3 c :H | 5.148; 5.148; 13.767 90; 90; 120 | 315.97 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
4126950 | CIF | C4 H12 Cl4 Fe N | P m -3 m | 6.81; 6.81; 6.81 90; 90; 90 | 316 | Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals. Journal of the American Chemical Society, 2017 |
2311710 | CIF | Li Nb0.08 O3 Ta0.92 | R 3 c :H | 5.149; 5.149; 13.781 90; 90; 120 | 316.42 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
2311708 | CIF | Li Nb0.36 O3 Ta0.64 | R 3 c :H | 5.149; 5.149; 13.786 90; 90; 120 | 316.53 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
2311709 | CIF | Li Nb0.11 O3 Ta0.89 | R 3 c :H | 5.151; 5.151; 13.776 90; 90; 120 | 316.55 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
2311707 | CIF | Li Nb0.4 O3 Ta0.6 | R 3 c :H | 5.147; 5.147; 13.798 90; 90; 120 | 316.56 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
7044318 | CIF | B Cd O4 Sc | P n m a | 9.921; 3.372; 9.469 90; 90; 90 | 316.8 | Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie ScMO(BO3) (M = Ca, Cd):New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges Dalton Trans., 2017 |
4002759 | CIF | Ba Fe4 O7 | P -3 1 c | 5.1503; 5.1503; 13.8069 90; 90; 120 | 317.17 | Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials, 2017, 29, 2689 |
2311705 | CIF | Li Nb0.7 O3 Ta0.3 | R 3 c :H | 5.145; 5.145; 13.841 90; 90; 120 | 317.3 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
2311706 | CIF | Li Nb0.47 O3 Ta0.53 | R 3 c :H | 5.147; 5.147; 13.834 90; 90; 120 | 317.39 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
4002830 | CIF | Ba0.89 Fe4 K0.21 O7 | P -3 1 c | 5.1532; 5.1532; 13.8134 90; 90; 120 | 317.68 | Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials, 2017, 29, 2689 |
2311704 | CIF Paper | Li Nb O3 | R 3 c :H | 5.146; 5.146; 13.859 90; 90; 120 | 317.84 | Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506 |
7043163 | CIF | B12 H18 N2 Na2 | P -3 m 1 | 7.16723; 7.16723; 7.15737 90; 90; 120 | 318.41 | Hansen, Bjarne R. S.; Tumanov, Nikolay; Santoru, Antonio; Pistidda, Claudio; Bednarcik, Jozef; Klassen, Thomas; Dornheim, Martin; Filinchuk, Yaroslav; Jensen, Torben Rene R. Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca) Dalton Trans., 2017 |
7056343 | CIF | C3 H4 Li N7 O | P -1 | 3.4344; 9.898; 10.611 115.93; 92.17; 98.473 | 318.72 | Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings New J. Chem., 2017 |
2242232 | CIF HKL Paper | C6 H8 N4 | P 1 21 1 | 5.6955; 3.8408; 14.592 90; 91.631; 90 | 319.07 | Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide Acta Crystallographica Section E, 2017, 73, 1021-1025 |
2311787 | CIF | Ba2 F2 Lu2 O12 Si4 | P -1 | 5.451; 7.1227; 8.8937 107.73; 101.81; 93.01 | 319.5 | Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915 |
2311786 | CIF | Ba2 F2 O12 Si4 Yb2 | P -1 | 5.4461; 7.1212; 8.9128 107.798; 101.866; 92.9455 | 319.66 | Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915 |
1550125 | CIF | Cu2 S4 Sn Zn | I -4 2 m | 5.434; 5.434; 10.845 90; 90; 90 | 320.24 | Munoz, M; Vera, E; Pineda, T; Guaspud, J Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies Journal of Physics: Conference Series, 2017, 786, 1-7 |
4345711 | CIF | C4 H4 Cu I N2 | P 1 2/c 1 | 4.2472; 6.89; 11.065 90; 98.104; 90 | 320.6 | Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S. Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties. Inorganic chemistry, 2017 |
1545168 | CIF | C15 H15 N S2 | P -1 | 6.0518; 7.3418; 8.6695 68.482; 67.375; 69.41 | 320.67 | Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study. The journal of physical chemistry. A, 2017, 121, 977-985 |
7229189 | CIF | C4 H6 Br N3 | P -1 | 5.0554; 7.5644; 9.029 72.096; 79.191; 80.625 | 320.68 | Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases CrystEngComm, 2017 |
3000121 | CIF | B3 Li O5 | P n a 21 | 8.4453; 7.3653; 5.1564 90; 90; 90 | 320.74 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
2311723 | CIF | C4 Cl4 Fe N | P m -3 m | 6.847; 6.847; 6.847 90; 90; 90 | 321 | Binns, 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 |
2108168 | CIF | D3 O4 P | P 1 21/c 1 | 5.7466; 4.8378; 11.6028 90; 95.107; 90 | 321.29 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
2311729 | CIF | C4 Cl4 Ga N | P m -3 m | 6.8504; 6.8504; 6.8504 90; 90; 90 | 321.48 | Binns, 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 |
2311785 | CIF | Ba2 F2 O12 Si4 Tm2 | P -1 | 5.4609; 7.1258; 8.9379 107.809; 101.987; 92.866 | 321.5 | Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915 |
2108160 | CIF | D3 O4 P | P 1 21/c 1 | 5.7493; 4.83921; 11.617 90; 95.15; 90 | 321.9 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
4345564 | CIF | Cu1.646 Li0.354 S4 Sn Zn | I -4 | 5.455; 5.455; 10.8253 90; 90; 90 | 322.129 | Lafond, A.; Guillot-Deudon, C; Vidal, J.; Paris, M.; La, C.; Jobic, S. Substitution of Li for Cu in Cu2ZnSnS4: Toward Wide Band Gap Absorbers with Low Cation Disorder for Thin Film Solar Cells. Inorganic chemistry, 2017, 56, 2712-2721 |
3000119 | CIF | B3 Li O5 | P n a 21 | 8.446; 7.3749; 5.175 90; 90; 90 | 322.34 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000120 | CIF | B3 Li O5 | P n a 21 | 8.4605; 7.3809; 5.1703 90; 90; 90 | 322.87 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000115 | CIF | B3 Li O5 | P n a 21 | 8.4386; 7.3725; 5.1954 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000117 | CIF | B3 Li O5 | P n a 21 | 8.4437; 7.377; 5.189 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
2108106 | CIF HKL Paper | C4 H12 I4 N2 | P -1 | 6.5154; 7.4946; 8.1299 64.759; 68.019; 69.5 | 324.27 | Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B, 2017, 73, 432-442 |
2311784 | CIF | Ba2 Er2 F2 O12 Si4 | P -1 | 5.476; 7.166; 8.958 108.138; 102.03; 92.742 | 324.3 | Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915 |
3000116 | CIF | B3 Li O5 | P n a 21 | 8.4524; 7.3868; 5.202 90; 90; 90 | 324.79 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
7227721 | CIF | C3 H3 Cl N3 Na O3 | P 63/m m c | 7.6807; 7.6807; 6.3662 90; 90; 120 | 325.246 | Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366 |
7044319 | CIF | B Ca O4 Sc | P n m a | 10.283; 3.3636; 9.432 90; 90; 90 | 326.2 | Ma, Ruru; Xu, Dongdong; Yang, Yun; Su, Xin; Lei, Bing-Hua; Yang, Zhihua; Pan, ShiLie ScMO(BO3) (M = Ca, Cd):New Sc-based oxyborates featuring interesting edge-sharing sandwich-like chains and UV cut-off edges Dalton Trans., 2017 |
3000122 | CIF | B3 Li O5 | P n a 21 | 8.5109; 7.4112; 5.173 90; 90; 90 | 326.29 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
1546943 | CIF | Al2 O5 Ti | B b m m | 9.4359; 9.6425; 3.593 90; 90; 90 | 326.91 | Ohta, Y.; Kawauchi, Y.; Ban, T. Cation distribution of pseudobrookite-type titanates and their phase stability Journal of the Ceramic Society of Japan, 2017, 125, 695-700 |
3000114 | CIF | B3 Li O5 | P n a 21 | 8.478; 7.398; 5.22 90; 90; 90 | 327.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
4002705 | CIF | Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 | C 1 2/m 1 | 5.5744; 9.8439; 6.017 90; 97.252; 90 | 327.535 | Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06) Chemistry of Materials, 2017, 29, 1377 |
3000118 | CIF | B3 Li O5 | P n a 21 | 8.501; 7.4043; 5.211 90; 90; 90 | 328 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
7227231 | CIF | C6 H8 N4 O2 | P 1 21/c 1 | 3.61996; 12.9546; 7.0224 90; 94.632; 90 | 328.24 | Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910 |
1545798 | CIF | Er0.07 La0.67 Mo4 Na1.33 O16 Sr1.33 Yb0.6 | I 41/a :2 | 5.30628; 5.30628; 11.68195 90; 90; 90 | 328.924 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
2020747 | CIF HKL | Al4 Li9 Sn5 | P -3 m 1 | 4.717; 4.717; 17.077 90; 90; 120 | 329.06 | Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type Acta Crystallographica Section C, 2017, 73 |
2242256 | CIF HKL Paper | Na O4 Tc | I 41/a | 5.2945; 5.2945; 11.747 90; 90; 90 | 329.29 | German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data Acta Crystallographica Section E, 2017, 73, 1037-1040 |
4125697 | CIF | C6 H4 Br2 | P 1 21/n 1 | 4.035; 5.763; 14.35 90; 97.21; 90 | 331.1 | Saha, Subhankar; Desiraju, Gautam R. Crystal Engineering of Hand-Twisted Helical Crystals. Journal of the American Chemical Society, 2017, 139, 1975-1983 |
7043540 | CIF | Al0.17 Ge3 Ho | C m m m | 3.9484; 20.541; 4.0871 90; 90; 90 | 331.48 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
4125692 | CIF | C7 H8 S | P 1 21/c 1 | 7.742; 7.223; 5.956 90; 92.953; 90 | 332.6 | Forbes, Christina R.; Sinha, Sudipta K.; Ganguly, Himal K.; Bai, Shi; Yap, Glenn P. A.; Patel, Sandeep; Zondlo, Neal J. Insights into Thiol-Aromatic Interactions: A Stereoelectronic Basis for S-H/π Interactions. Journal of the American Chemical Society, 2017, 139, 1842-1855 |
1545797 | CIF | Er0.13 La0.93 Mo4 Na1.33 O16 Sr1.33 Yb0.27 | I 41/a :2 | 5.32926; 5.32926; 11.74788 90; 90; 90 | 333.652 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
1560573 | CIF | Co0.99 Li1.01 O4 P | P n a 21 | 10.0256; 4.9631; 6.7157 90; 90; 90 | 334.16 | Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17 |
7229438 | CIF | C4 H10 Cl N O2 | P 1 21/m 1 | 5.9059; 6.3964; 8.9893 90; 100.064; 90 | 334.36 | Rademeyer, Melanie; van der Westhuizen, Belinda Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro CrystEngComm, 2017 |
2242212 | CIF HKL Paper | C H O3 Rb | C -1 | 14.945; 5.8212; 3.9699 89.343; 104.096; 92.748 | 334.59 | Larvor, Carla; Stöger, Berthold The phase transition of rubidium hydrogen carbonate, RbHCO~3~ Acta Crystallographica Section E, 2017, 73, 975-979 |
7042943 | CIF | C Li O3 Rb | P 1 21/n 1 | 6.849; 7.162; 7.525 90; 114.961; 90 | 334.6 | Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence. Dalton transactions (Cambridge, England : 2003), 2017 |
7043539 | CIF | Al0.21 Dy Ge3 | C m m m | 3.9608; 20.577; 4.1055 90; 90; 90 | 334.6 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
1560572 | CIF | Co1.03 Li0.95 O4 P | P n a 21 | 10.035; 4.967; 6.716 90; 90; 90 | 334.8 | Ludwig, Jennifer; Nordlund, Dennis; Doeff, Marca M.; Nilges, Tom Synthesis and characterization of metastable, 20 nm-sized Pna 2 1 -LiCoPO 4 nanospheres Journal of Solid State Chemistry, 2017, 248, 9-17 |
2242211 | CIF HKL Paper | C H O3 Rb | C 1 2/m 1 | 14.807; 5.8216; 4.0217 90; 104.321; 90 | 335.9 | Larvor, Carla; Stöger, Berthold The phase transition of rubidium hydrogen carbonate, RbHCO~3~ Acta Crystallographica Section E, 2017, 73, 975-979 |
1545796 | CIF | Er0.27 La1.07 Mo4 Na1.33 O16 Sr1.33 | I 41/a :2 | 5.34061; 5.34061; 11.77693 90; 90; 90 | 335.903 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
2108132 | CIF HKL | C7 H6 O2 S | P -1 | 3.863; 6.0337; 14.4721 91.302; 93.062; 92.925 | 336.29 | Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633 |
7227237 | CIF | C6 H2 N6 O2 | P 1 21/c 1 | 6.46087; 5.62884; 9.37402 90; 99.3001; 90 | 336.426 | Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T. Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives CrystEngComm, 2017, 19, 910 |
2242257 | CIF HKL Paper | Na O4 Tc | I 41/a :2 | 5.3325; 5.3325; 11.8503 90; 90; 90 | 336.97 | German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data Acta Crystallographica Section E, 2017, 73, 1037-1040 |
2312021 | CIF HKL Paper | C8 H8 N2 | P 1 21/c 1 | 5.95; 6.765; 8.4363 90; 96.746; 90 | 337.225 | Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N. Crystal structure of 2,2'-bi-pyrrole. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1517-1519 |
7236609 | CIF | C3 H5 N9 | P -1 | 4.94; 5.906; 12.109 97.538; 90.277; 105.359 | 337.4 | Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. Aminoacetonitrile as precursor for nitrogen rich stable and insensitive asymmetric N-methylene-C linked tetrazole-based energetic compounds Journal of Materials Chemistry A, 2017, 5, 16767 |
4126462 | CIF | C4 H11 N O2 S | P m n 21 | 7.733; 6.629; 6.587 90; 90; 90 | 337.7 | Liniger, Marc; Liu, Yiyang; Stoltz, Brian M. Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids. Journal of the American Chemical Society, 2017 |
7043537 | CIF | Al0.22 Ge3 Tb | C m m m | 3.9727; 20.653; 4.1233 90; 90; 90 | 338.3 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
1560681 | CIF | As2 Mn3 O8 | P 1 21/n 1 | 5.4278; 6.8421; 9.1696 90; 96.48; 90 | 338.36 | Weil, Matthias; Kremer, Reinhard K. Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2 Journal of Solid State Chemistry, 2017, 245, 115-126 |
7043558 | CIF | C10 H18 N8 Ni O2 | P -1 | 6.7068; 6.7518; 7.8797 75.399; 81.175; 81.118 | 338.7 | Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu. Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes Dalton Trans., 2017 |
1545795 | CIF | La1.33 Mo4 Na1.33 O16 Sr1.33 | I 41/a :2 | 5.36033; 5.36033; 11.82739 90; 90; 90 | 339.838 | Chang Sung Lim; Aleksandr S. Aleksandrovsky; Maxim S. Molokeev; Aleksandr S. Oreshonkov; Victor V. Atuchin Microwave synthesis and spectroscopic properties of ternary scheelite-type molybdate phosphors NaSrLa(MoO4)3:Er3+,Yb3+ Journal of Alloys and Compounds, 2017, 713, 156-163 |
2311924 | CIF Paper | C7 H7 Cl O | P 1 c 1 | 4.8622; 6.9718; 10.1539 90; 98.727; 90 | 340.21 | Jandl, Christian; Pöthig, Alexander Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 810-813 |
1551077 | CIF | Cr2 Mg2 O5 | P b a m | 9.6091; 12.4324; 2.8498 90; 90; 90 | 340.449 | Ishii, T.; Tsujino, N.; Arii, H.; Fujino, K.; Miyajima, N.; Kojitani, H.; Kunimoto, T.; Akaogi, M. A shallow origin of so-called ultrahigh-pressure chromitites, based on single-crystal X-ray structure analysis of the high-pressure Mg2Cr2O5 phase, with modified ludwigite-type structure American Mineralogist, 2017, 102, 2113-2118 |
7044307 | CIF | C3 H K N4 O5 | P -1 | 6.8618; 7.1833; 7.7371 84.776; 82.401; 64.52 | 341 | Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017 |
7042270 | CIF | B F4 N O | P n m a | 8.856; 5.6314; 6.841 90; 90; 90 | 341.17 | Morozov, I. V.; Deeva, E. B.; Glazunova, T. Yu; Troyanov, S. I.; Guseinov, F. I.; Kustov, L. M. Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4430-4434 |
7120256 | CIF | C2 H0 Cu2 O6 S | P 1 21/m 1 | 5.6115; 6.0587; 10.068 90; 93.612; 90 | 341.62 | Yang, Huimin; Fei, Honghan Exfoliation of a Two-Dimensional Cationic Inorganic Network as a New Paradigm for High-Capacity CrVI-Anion Capture Chem. Commun., 2017 |
2311090 | CIF | C10 H8 | P 1 21/c 1 | 7.808; 5.943; 8.097 90; 114.4; 90 | 342.2 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
7043830 | CIF | Cu2 P2 Th | P n m a | 8.9882; 3.8726; 9.8376 90; 90; 90 | 342.42 | JIN, GENG BANG; Malliakas, Christos D.; Lin, Jian Thorium Copper Phosphides: More Diverse Metal‒Phosphorus and Phosphorus‒Phosphorus Interactions than U analogues Dalton Trans., 2017 |
2311088 | CIF | C10 H8 | P 1 21/c 1 | 7.8248; 5.9349; 8.0997 90; 114.441; 90 | 342.438 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol Acta Crystallographica Section A, 2017, 73, 102-114 |
7229732 | CIF | Na3 P S4 | P -4 21 c | 6.9587; 6.9587; 7.0832 90; 90; 90 | 342.99 | Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4 Journal of Materials Chemistry A, 2017, 5, 25025 |
7055970 | CIF | C6 H8 N10 O10 | P -1 | 6.7135; 6.7702; 8.1378 80.267; 76.307; 74.335 | 343.82 | Tian, Jiawei; Xiong, Hualin; Lin, Qiuhan; Cheng, Guangbin; Yang, Hongwei Energetic compounds featuring bi(1,3,4-oxadiazole): a new family of insensitive energetic materials New J. Chem., 2017, 41, 1918 |
7043535 | CIF | Al0.26 Gd Ge3 | C m m m | 4.0031; 20.739; 4.1624 90; 90; 90 | 345.56 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
4126100 | CIF | C8 H8 B N | P 1 21/c 1 | 7.85; 6.0119; 7.995 90; 112.37; 90 | 348.92 | Liu, Zhiqiang; Ishibashi, Jacob S. A.; Darrigan, Clovis; Dargelos, Alain; Chrostowska, Anna; Li, Bo; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes. Journal of the American Chemical Society, 2017, 139, 6082-6085 |
7227262 | CIF | C7 H7 Br0.5 Cl0.5 O | P 1 21 1 | 5.9892; 4.9395; 12.0858 90; 102.59; 90 | 348.94 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
1545918 | CIF | Bi0.5 Na0.5 O9 Ti | R 3 c :H | 5.49; 5.49; 13.387 90; 90; 120 | 349.429 | Mahmood, 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 |
2242181 | CIF HKL Paper | C7 H10 O4 | P 1 21 1 | 5.4143; 5.4176; 11.92 90; 90.977; 90 | 349.59 | Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo Crystal structure and absolute configuration of (4<i>S</i>,5<i>R</i>,6<i>S</i>)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H) Acta Crystallographica Section E, 2017, 73, 606-609 |
4126239 | CIF | C7 H5 Br F2 | P 1 21/c 1 | 7.962; 7.097; 6.1966 90; 92.557; 90 | 349.8 | Sessler, Chanan D.; Rahm, Martin; Becker, Sabine; Goldberg, Jacob M.; Wang, Fang; Lippard, Stephen J. CF2H, a Hydrogen Bond Donor. Journal of the American Chemical Society, 2017 |
7229733 | CIF | Na3 P S4 | I -4 3 m | 7.06985; 7.06985; 7.06985 90; 90; 90 | 353.371 | Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4 Journal of Materials Chemistry A, 2017, 5, 25025 |
7227216 | CIF | C12 H16 Cl2 N2 O2 | P 1 | 4.7532; 8.1538; 10.0237 113.997; 91.275; 90.003 | 354.801 | Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T. Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene CrystEngComm, 2017, 19, 346 |
7043541 | CIF | Al0.28 Ge3 Sm | C m m m | 4.04; 20.88; 4.21 90; 90; 90 | 355.1 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
1546048 | CIF | C9 H6 O2 | P 1 21 1 | 3.97954; 15.2907; 5.8583 90; 94.237; 90 | 355.5 | Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart Powder diffraction and crystal structure prediction identify four new coumarin polymorphs Chem. Sci., 2017 |
2108127 | CIF HKL | C10 H16 Co N0 O12 | P -1 | 5.5872; 6.6969; 10.5753 77.217; 74.884; 70.434 | 356.02 | Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid Acta Crystallographica Section B, 2017, 73, 715-721 |
7227260 | CIF | C7 H7 Br O | P 1 21 1 | 6.0614; 4.9572; 12.1601 90; 102.523; 90 | 356.69 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
7227261 | CIF | C7.5 H8.5 Br0.5 O | P 1 21 1 | 6.044; 4.9739; 12.231 90; 103.69; 90 | 357.2 | Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F. How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols CrystEngComm, 2017, 19, 653 |
2311730 | CIF | Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 | P 1 21/c 1 | 4.7514; 7.5719; 9.9414 90; 90.015; 90 | 357.66 | Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Kristiansen, Roy; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Van, Konstantin V.; Bychkova, Yana V.; Britvin, Sergey N. Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)<sub>2</sub>(Fe,\σquare )Be<sub>2</sub>Si<sub>2</sub>O<sub>8</sub>(OH,O)<sub>2</sub> from Heftetjern pegmatite, Norway. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 899-906 |
4032148 | CIF | C10 H12 N2 O8 S2 | P -1 | 6.8561; 7.0999; 7.969 70.08; 88.026; 79.211 | 358.08 | Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System. The Journal of organic chemistry, 2017, 82, 1591-1599 |
7702151 | CIF | C3 Mn N O7 P | P 1 21 1 | 5.60643; 12.4389; 5.37101 90; 105.756; 90 | 360.489 | Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties. Dalton transactions (Cambridge, England : 2003), 2017, 46, 16570-16579 |
7236918 | CIF | C7 H5 Au O2 S | P 1 | 4.51809; 5.4084; 14.86056 84.8666; 86.2921; 88.2557 | 360.8 | Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing J. Mater. Chem. C, 2017, 5, 9843 |
1546672 | CIF HKL Paper | C7 H8 N2 O2 | P 1 21 1 | 3.8872; 6.8386; 13.6279 90; 93.303; 90 | 361.67 | Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M. Methyl 5-methylpyrazine-2-carboxylate IUCrData, 2017, 2, x170997 |
3000125 | CIF | Ba O16 Ra3 S4 | P n m a | 9.06956; 5.51771; 7.27476 90; 90; 90 | 364.052 | Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study Journal of Solid State Chemistry, 2017, 253, 15-20 |
7044310 | CIF | C3 H5 N5 O5 | P -1 | 7.0339; 7.2398; 7.9636 84.593; 83.386; 64.874 | 364.26 | Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017 |
2311525 | CIF Paper | As2 Ba Mn2 O8 | P -1 | 5.7981; 7.0938; 9.817 109.75; 100.42; 98.4 | 364.28 | Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S. Crystal structure of BaMn<sub>2</sub>(AsO<sub>4</sub>)<sub>2</sub> containing discrete [Mn<sub>4</sub>O<sub>18</sub>]<sup>28-</sup> units. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1855-1860 |
7043536 | CIF | Al0.38 Ge3 Nd | C m m m | 4.074; 21.019; 4.261 90; 90; 90 | 364.9 | Zhang, Jiliang; Liu, Yanyan; Shek, Chan Hung; Wang, Yingmin; Bobev, Svilen On the structures of the rare-earth metal germanides from the series REAl1−xGe3 (RE = Nd, Sm, Gd, Tb, Dy, Ho; 0.6 < x < 0.9). A tale of vacancies at the Al sites and the concomitant structural modulations Dalton Trans., 2017 |
2311753 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0209; 5.0209; 16.7515 90; 90; 120 | 365.719 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
7119568 | CIF | C5 H13 N O S | P 1 21/m 1 | 6.2849; 8.8158; 6.6483 90; 96.781; 90 | 365.78 | Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates. Chemical communications (Cambridge, England), 2017, 53, 2064-2067 |
2311755 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0206; 5.0206; 16.7875 90; 90; 120 | 366.46 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
2311754 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0214; 5.0214; 16.7931 90; 90; 120 | 366.7 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
1553650 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 6.99732; 6.99732; 7.49177 90; 90; 90 | 366.816 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
2311756 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0217; 5.0217; 16.8037 90; 90; 120 | 366.98 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
2311759 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0256; 5.0256; 16.782 90; 90; 120 | 367.07 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
2311760 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.027; 5.027; 16.778 90; 90; 120 | 367.19 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
2311757 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0224; 5.0224; 16.8222 90; 90; 120 | 367.48 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
1553649 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 7.00122; 7.00122; 7.49794 90; 90; 90 | 367.527 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
2311761 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0277; 5.0277; 16.7972 90; 90; 120 | 367.71 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
7044337 | CIF | B20 In Ni21 | P m -3 m | 7.16607; 7.16607; 7.16607 90; 90; 90 | 367.996 | Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017 |
7042944 | CIF | C Cs Li O3 | P 1 21/n 1 | 7.257; 7.173; 7.866 90; 115.983; 90 | 368.1 | Liu, Qiong; Li, Zhi; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie LiMCO3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence. Dalton transactions (Cambridge, England : 2003), 2017 |
2311758 | CIF | C6 Ba3 Mg3 O18 | R -3 m :H | 5.0228; 5.0228; 16.862 90; 90; 120 | 368.41 | Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835 |
7044341 | CIF | B20 In Ni21 | P m -3 m | 7.173; 7.173; 7.173 90; 90; 90 | 369.065 | Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017 |
7044339 | CIF | B20 Ni21 Sn | P m -3 m | 7.17585; 7.17585; 7.17585 90; 90; 90 | 369.505 | Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017 |
4032789 | CIF | C6 H9 N3 O2 | C 1 m 1 | 7.693; 6.6662; 7.3655 90; 101.9; 90 | 369.608 | Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles. The Journal of organic chemistry, 2017, 82, 8864-8872 |
2108209 | CIF | C4 H4 O4 | P b c a | 4.7321; 6.9298; 11.2798 90; 90; 90 | 369.89 | Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H. Compression of glycolide-h~4~ to 6GPa Acta Crystallographica Section B, 2017, 73, 1151-1157 |
1553648 | CIF | C8 H8 F6 N4 Ni Si Xe0.34 | P 4/m m m | 7.0187; 7.0187; 7.5098 90; 90; 90 | 369.95 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
7044014 | CIF | Cu6.35 Na Sb3 | P 63/m m c | 4.2166; 4.2166; 24.0406 90; 90; 120 | 370.17 | Owens-Baird, Bryan; Lee, Shannon; Kovnir, Kirill Two-Dimensional Metal NaCu6.3Sb3 and Solid-State Transformations of Sodium Copper Antimonides Dalton Trans., 2017 |
7044783 | CIF | Sc Te2 Tl0.96 | R -3 m :H | 4.2133; 4.2133; 24.088 90; 90; 120 | 370.32 | Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te Dalton Transactions, 2017 |
1548052 | CIF | C7 H4 Cl2 O2 | P -1 | 6.6783; 7.8355; 8.1648 65.48; 86.218; 72.786 | 370.51 | Chen, Xiao-Yang; Ozturk, Seyma; Sorensen, Erik J. Pd-Catalyzed Ortho C-H Hydroxylation of Benzaldehydes Using a Transient Directing Group. Organic letters, 2017, 19, 6280-6283 |
7044338 | CIF | B20 Ni21 Sn | P m -3 m | 7.1834; 7.1834; 7.1834 90; 90; 90 | 370.672 | Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017 |
7044340 | CIF | B20 Ni21 Sn | P m -3 m | 7.1834; 7.1834; 7.1834 90; 90; 90 | 370.672 | Wagner, Frank R.; Zheng, Qiang; Gumeniuk, Roman; Bende, David; Prots, Yurii; Bobnar, Matej; Hu, Dong-Li; Burkhardt, Ulrich; Grin, Yuri; Leithe-Jasper, Andreas Hierarchical and chemical space partitioning in new intermetallic borides MNi21B20 (M = In, Sn) Dalton Trans., 2017 |
7044782 | CIF | Sc Te2 Tl0.975 | R -3 m :H | 4.2173; 4.2173; 24.112 90; 90; 120 | 371.39 | Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q= Se, Te Dalton Transactions, 2017 |
1560625 | CIF | Mn O3 Y | P 63 c m | 6.14624; 6.14624; 11.38463 90; 90; 120 | 372.451 | Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41 |
7044306 | CIF | C3 H5 N5 O6 | P -1 | 6.736; 8.1254; 8.4748 62.402; 83.171; 65.905 | 373.84 | Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities Dalton Trans., 2017 |
1545787 | CIF | C7 H4 Br Cl O2 | P -1 | 3.8949; 8.2939; 11.8408 89.014; 89.991; 78.651 | 374.97 | Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N. FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions? Faraday Discuss., 2017 |
1560626 | CIF | Mn O3 Y | P 63 c m | 6.18081; 6.18081; 11.37786 90; 90; 120 | 376.428 | Levin, I.; Krayzman, V.; Vanderah, T.A.; Tomczyk, M.; Wu, H.; Tucker, M.G.; Playford, H.Y.; Woicik, J.C.; Dennis, C.L.; Vilarinho, P.M. Oxygen-storage behavior and local structure in Ti-substituted YMnO3 Journal of Solid State Chemistry, 2017, 246, 29-41 |
4032147 | CIF | H8 N2 O8 S2 | P 1 21/n 1 | 6.1336; 7.936; 7.765 90; 94.959; 90 | 376.56 | Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System. The Journal of organic chemistry, 2017, 82, 1591-1599 |
1549272 | CIF | C H7.89 N O7.45 P V | P -1 | 6.3844; 7.2278; 9.2965 67.26; 72.927; 85.848 | 377.8 | C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates Journal of Solid State Chemistry, 2017, 253, 73-77 |
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