Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1529337 | CIF HKL | Eu0.12 Na3.88 O24 Sc4 Si8 | C 1 2/c 1 | 9.83633; 9.06851; 5.34709 90; 107.09; 90 | 455.9 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529338 | CIF HKL | Ca0.68 Eu0.12 Mg0.7 Na3.2 O24 Sc3.3 Si8 | C 1 2/c 1 | 9.81825; 9.04929; 5.32748 90; 106.713; 90 | 453.342 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529339 | CIF HKL | Ca2.94 Eu0.2 Mg3.1 Na0.86 O24 Sc0.9 Si8 | C 1 2/c 1 | 9.77208; 8.97795; 5.27439 90; 106.014; 90 | 444.78 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529340 | CIF HKL | Ca1.66 Eu0.12 Mg1.71 Na2.22 O24 Sc2.29 Si8 | C 1 2/c 1 | 9.79577; 9.01952; 5.30306 90; 106.359; 90 | 449.574 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529341 | CIF HKL | Ca2.36 Eu0.12 Mg2.44 Na1.52 O24 Sc1.56 Si8 | C 1 2/c 1 | 9.78235; 8.99721; 5.28777 90; 106.133; 90 | 447.07 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529342 | CIF HKL | Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8 | C 1 2/c 1 | 9.76484; 8.97439; 5.26841 90; 105.979; 90 | 443.85 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529343 | CIF HKL | Ca3.88 Eu0.12 O24 Si8 | C 1 2/c 1 | 9.74888; 8.9529; 5.250985 90; 105.864; 90 | 440.855 | Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors Scientific Reports, 2013, 3, 1-7 |
1529492 | CIF HKL | Al4 Mg2 O18 Si5 | P 6/m c c | 9.78698; 9.78698; 9.33739 90; 90; 120 | 774.56 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529493 | CIF HKL | Al8.33 K0.34 Mg4 O36 Si9.67 | P 6/m c c | 9.79306; 9.79306; 9.33885 90; 90; 120 | 775.64 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529494 | CIF HKL | Al8.51 K0.52 Mg4 O36 Si9.49 | P 6/m c c | 9.79423; 9.79423; 9.34129 90; 90; 120 | 776.03 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529495 | CIF HKL | Al9 K Mg4 O36 Si9 | P 6/m c c | 9.79964; 9.79964; 9.36376 90; 90; 120 | 778.76 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529496 | CIF HKL | Al9.02 Mg4 O36 Rb0.99 Si8.98 | P 6/m c c | 9.79552; 9.79552; 9.37418 90; 90; 120 | 778.97 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529497 | CIF HKL | Al8.51 Mg4 O36 Rb0.52 Si9.49 | P 6/m c c | 9.79723; 9.79723; 9.34351 90; 90; 120 | 776.69 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1529498 | CIF HKL | Al9 Mg4 O36 Rb Si9 | P 6/m c c | 9.79795; 9.79795; 9.3637 90; 90; 120 | 778.48 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
1545048 | CIF | H0.162 Mg1.8965 O4 Si1.001 | I m m a | 5.6865; 11.515; 8.2545 90; 90; 90 | 540.51 | Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C. Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K Scientific Reports, 2016, 6, 34988-- |
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 |
1545547 | CIF | Bi2 O3 | P -4 21 c | 7.7299; 7.7299; 5.6587 90; 90; 90 | 338.115 | Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports, 2016, 6, 39561-39561 |
1547276 | CIF | Fe7 O9 | C 1 2/m 1 | 9.696; 2.8947; 11.428 90; 101.69; 90 | 314.1 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
1547277 | CIF | Fe5.94 Mg1.06 O9 | C 1 2/m 1 | 9.6901; 2.8943; 11.4397 90; 102.045; 90 | 313.77 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
1547347 | CIF | C Ca O | R -3 c :H | 4.9877; 4.9877; 17.053 90; 90; 120 | 367.394 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547348 | CIF | C Ca O | R -3 c :H | 4.988; 4.988; 17.0607 90; 90; 120 | 367.604 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547349 | CIF | C Ca O | R -3 c :H | 4.986; 4.986; 17.0592 90; 90; 120 | 367.277 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547350 | CIF | C Ca O3 | R -3 c :H | 4.9876; 4.9876; 17.0575 90; 90; 120 | 367.476 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547351 | CIF | C Ca O3 | R -3 c :H | 4.9804; 4.9804; 17.1932 90; 90; 120 | 369.331 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547352 | CIF | C Ca O3 | R -3 c :H | 4.978; 4.978; 17.2509 90; 90; 120 | 370.213 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547353 | CIF | C Ca O3 | R -3 c :H | 4.9763; 4.9763; 17.3134 90; 90; 120 | 371.301 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547354 | CIF | C Ca O | R -3 c :H | 4.9768; 4.9768; 17.3026 90; 90; 120 | 371.144 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547355 | CIF | C Ca O | R -3 c :H | 4.9756; 4.9756; 17.3717 90; 90; 120 | 372.446 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547356 | CIF | C Ca O | R -3 c :H | 4.9752; 4.9752; 17.445 90; 90; 120 | 373.958 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547370 | CIF | C Ca O3 | R -3 c :H | 4.9747; 4.9747; 17.4468 90; 90; 120 | 373.921 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547371 | CIF | C Ca O3 | R -3 c :H | 4.9694; 4.9694; 17.758 90; 90; 120 | 379.78 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547372 | CIF | C Ca O3 | R -3 c :H | 4.9679; 4.9679; 17.809 90; 90; 120 | 380.641 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547373 | CIF | C Ca O3 | R -3 c :H | 4.9745; 4.9745; 17.4912 90; 90; 120 | 374.843 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547374 | CIF | C Ca O3 | R -3 c :H | 4.9746; 4.9746; 17.5316 90; 90; 120 | 375.724 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547375 | CIF | C Ca O3 | R -3 c :H | 4.9738; 4.9738; 17.5413 90; 90; 120 | 375.811 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547376 | CIF | C Ca O3 | R -3 c :H | 4.9738; 4.9738; 17.5547 90; 90; 120 | 376.098 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547377 | CIF | C Ca O3 | R -3 c :H | 4.9738; 4.9738; 17.5798 90; 90; 120 | 376.635 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547378 | CIF | C Ca O3 | R -3 c :H | 4.9725; 4.9725; 17.6257 90; 90; 120 | 377.421 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547379 | CIF | C Ca O3 | R -3 c :H | 4.9728; 4.9728; 17.6811 90; 90; 120 | 378.653 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547380 | CIF | C Ca O3 | R -3 c :H | 4.9714; 4.9714; 17.6902 90; 90; 120 | 378.635 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547381 | CIF | C Ca O3 | R -3 m :H | 4.9699; 4.9699; 8.9166 90; 90; 120 | 190.733 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1547382 | CIF | C Ca O3 | R -3 m :H | 4.9689; 4.9689; 8.9364 90; 90; 120 | 191.079 | Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa Structural evolution of calcite at high temperatures: Phase V unveiled Scientific Reports, 2013, 3, 2832 |
1548453 | CIF | C H0.378 D5.622 I3 N Pb | P n m a | 8.81155; 12.58714; 8.55975 90; 90; 90 | 949.381 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
1548467 | CIF | C H0.378 D5.622 I3 N Pb | I 4/m c m | 8.79948; 8.79948; 12.6882 90; 90; 90 | 982.458 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
1548468 | CIF | C H0.378 D5.622 I3 N Pb | P m -3 m | 6.30649; 6.30649; 6.30649 90; 90; 90 | 250.821 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
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 |
1548471 | CIF | Ba3 Br Fe S4 | P n m a | 12.343; 9.5901; 8.4468 90; 90; 90 | 999.85 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
1548472 | CIF | Ba3 Br Fe S4 | P n m a | 12.3636; 9.5974; 8.4596 90; 90; 90 | 1003.8 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
1548473 | CIF | Ba3 Br Fe S4 | P n m a | 12.4081; 9.6132; 8.4859 90; 90; 90 | 1012.21 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
1548484 | CIF | C49 H36 F6 Mn2 N4 O10 S2 | P 21 c n | 6.613; 25.081; 30.74 90; 90; 90 | 5099 | Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports, 2016, 6, 23785 |
1548485 | CIF | C53 H52 F6 Mn2 N4 O12 S2 | P 21 c n | 6.5329; 26.757; 30.62 90; 90; 90 | 5352.4 | Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex Scientific Reports, 2016, 6, 23785 |
1548523 | CIF | C4 H12 Al3 F N O12.5 P3 | P -1 | 9.199; 9.202; 9.295 87.525; 79.027; 87.884 | 771.4 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
1548524 | CIF | C3 H12 Al3 F N O13 P3 | P -1 | 9.1231; 9.2411; 9.3426 86.769; 79.946; 87.846 | 774 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
1548525 | CIF | C5 H12.5 Al3 F N O12.25 P3 | P -1 | 9.18; 9.1957; 9.3606 86.532; 78.192; 87.739 | 771.76 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
1548604 | CIF | C12 H20 N2 O7 | C 1 2/c 1 | 19.957; 9.858; 15.78 90; 99.02; 90 | 3066.1 | Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations Scientific Reports, 2013, 3, 1058 |
1548605 | CIF | C11 H18 N2 O6 | P -1 | 8.6838; 8.8343; 10.114 80.33; 72.94; 67.07 | 681.9 | Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations Scientific Reports, 2013, 3, 1058 |
1548642 | CIF | C124 H230 N20 Ni4 O61 | I -4 | 30.0315; 30.0315; 8.8752 90; 90; 90 | 8004.5 | Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports, 2012, 2, 668 |
1548643 | CIF | C107 H244 F6 N23 Ni5 O63 P | P -1 | 18.6018; 20.4447; 23.3295 102.63; 108.244; 109.763 | 7388.9 | Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports, 2012, 2, 668 |
1548644 | CIF | C138 H255 Cl N28 Ni6 O59 | F d -3 m :2 | 32.8793; 32.8793; 32.8793 90; 90; 90 | 35544.1 | Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units Scientific Reports, 2012, 2, 668 |
1565813 | CIF | Fe7 O38 P11 | P 63 | 14.4504; 14.4504; 7.42607 90; 90; 120 | 1342.9 | Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification Scientific Reports, 2021, 11, 22957 |
1566650 | CIF | D2 O | P m m n :2 | 6.245; 6.242; 5.77577 90; 90; 90 | 225.15 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
1566660 | CIF | D2 O | P 42/n m c :2 | 6.2446; 6.2446; 5.76203 90; 90; 90 | 224.691 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
1568403 | CIF | C22 H32 Cl4 N8 O4 Pd2 S4 | P 1 21/c 1 | 14.184; 21.669; 21.746 90; 90.63; 90 | 6683 | Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells Scientific Reports, 2020, 10, 16745 |
3000243 | CIF | C Si | C m c 21 | 3.0778; 5.335; 15.1219 90; 90; 90 | 248.3 | El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype Scientific Reports, 2020, 10, 7562 |
3000327 | CIF | Fe3 O4 | F d -3 m :2 | 8.39912; 8.39912; 8.39912 90; 90; 90 | 592.518 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses Scientific Reports, 2022, 4851 |
3000328 | CIF | Fe3 O4 | P b c m | 2.8202; 9.4378; 9.382 90; 90; 90 | 249.716 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses Scientific Reports, 2022, 4851 |
3000344 | CIF | O2 V | P 1 21/c 1 | 5.752316; 4.525392; 5.382368 90; 122.611; 90 | 118.022 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000345 | CIF | O2 V0.989 W0.011 | P 1 21/c 1 | 5.756886; 4.528684; 5.383653 90; 122.586; 90 | 118.263 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000346 | CIF | O2 V0.973 W0.027 | P 1 21/c 1 | 5.765868; 4.531848; 5.384223 90; 122.645; 90 | 118.465 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000347 | CIF | O V0.488 W0.012 | P 42/m n m | 4.554985; 4.554985; 2.854296 90; 90; 90 | 59.221 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000348 | CIF | O2 V0.957 W0.043 | P 1 21/c 1 | 5.740803; 4.593496; 5.356922 90; 122.28; 90 | 119.431 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000349 | CIF | O V0.481 W0.019 | P 42/m n m | 4.55898; 4.55898; 2.856885 90; 90; 90 | 59.378 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000350 | CIF | O V0.468 W0.032 | P 42/m n m | 4.56274; 4.56274; 2.863021 90; 90; 90 | 59.604 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000351 | CIF | O V0.455 W0.045 | P 42/m n m | 4.566021; 4.566021; 2.868822 90; 90; 90 | 59.811 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000352 | CIF | O V0.448 W0.052 | P 42/m n m | 4.569537; 4.569537; 2.87232 90; 90; 90 | 59.976 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000353 | CIF | O V0.425 W0.075 | P 42/m n m | 4.572685; 4.572685; 2.878604 90; 90; 90 | 60.19 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000354 | CIF HKL | O V0.462 W0.038 | P 42/m n m | 4.56124; 4.56124; 2.88795 90; 90; 90 | 60.0835 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000355 | CIF HKL | O V0.453 W0.047 | P 42/m n m | 4.56631; 4.56631; 2.88937 90; 90; 90 | 60.247 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000356 | CIF HKL | O V0.433 W0.067 | P 42/m n m | 4.57222; 4.57222; 2.8669 90; 90; 90 | 59.9331 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000362 | CIF | O2 V0.992 W0.008 | P 1 | 5.70293; 4.55591; 5.39085 90; 122.337; 90 | 118.343 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000363 | CIF | O2 V0.992 W0.008 | P 1 | 4.54028; 4.54028; 2.86067 90; 90; 90 | 58.97 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000364 | CIF | O2 V0.975 W0.025 | P 1 | 5.77225; 4.54015; 5.40157 90; 122.914; 90 | 118.836 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000365 | CIF | O2 V0.975 W0.025 | P 1 | 4.5539; 4.5539; 2.85868 90; 90; 90 | 59.283 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000366 | CIF | O2 V0.964 W0.036 | P 1 | 4.55959; 4.55959; 2.85856 90; 90; 90 | 59.429 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000367 | CIF | O2 V0.937 W0.063 | P 1 | 4.56377; 4.56377; 2.86364 90; 90; 90 | 59.644 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000368 | CIF | O2 V0.911 W0.089 | P 1 | 4.56774; 4.56774; 2.86988 90; 90; 90 | 59.878 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000369 | CIF | O2 V0.896 W0.104 | P 1 | 4.5719; 4.5719; 2.87401 90; 90; 90 | 60.073 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000370 | CIF | O2 V0.85 W0.15 | P 1 | 4.57297; 4.57297; 2.87908 90; 90; 90 | 60.207 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000375 | CIF | O2 Sc0.005 V0.995 | P 1 21/c 1 | 5.755932; 4.528083; 5.385573 90; 122.606; 90 | 118.244 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000376 | CIF | O2 Sc0.007 V0.993 | P 1 21/c 1 | 5.755554; 4.527687; 5.384285 90; 122.593; 90 | 118.214 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000377 | CIF | O2 Sc0.003 V0.997 | P 1 21/c 1 | 5.756384; 4.528615; 5.386136 90; 122.617; 90 | 118.265 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000378 | CIF | O2 Sc0.018 V0.982 | P 1 21/c 1 | 5.754162; 4.527055; 5.384134 90; 122.603; 90 | 118.153 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000379 | CIF | O2 Sc0.021 V0.979 | P 1 21/c 1 | 5.755693; 4.527684; 5.383801 90; 122.585; 90 | 118.217 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000380 | CIF | O2 Sc0.015 V0.985 | P 1 21/c 1 | 5.756596; 4.528448; 5.386749 90; 122.613; 90 | 118.284 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000381 | CIF | O2 Sc0.047 V0.953 | P 1 21/c 1 | 5.755818; 4.52814; 5.384144 90; 122.582; 90 | 118.243 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000382 | CIF | Cr0.005 O2 V0.995 | P 1 21/c 1 | 5.753169; 4.526911; 5.381891 90; 122.588; 90 | 118.1 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000383 | CIF | Cr0.02 O4 V1.98 | C 1 2/m 1 | 9.065126; 5.767309; 4.522985 90; 91.1962; 90 | 236.416 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000384 | CIF | Cr0.06 O4 V1.94 | C 1 2/m 1 | 9.064784; 5.791293; 4.526692 90; 91.9246; 90 | 237.503 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
3000399 | CIF | Ga12 Rh4 | C m c 21 | 3.2116; 9.1666; 8.4581 90; 90; 90 | 249.002 | Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian Isolated Rh atoms in dehydrogenation catalysis Scientific Reports, 2023, 13, 4458 |
3000452 | CIF | C2 H2 Mg O2 | P 3 m 1 | 2.7117; 2.7117; 28.776899 90; 90; 120 | 183.256 | Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090 |
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