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 |
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