Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000191 | CIF | Ag0.5 Cr0.5 P S3 | P 1 2/a 1 | 5.892; 10.632; 6.745 90; 105.88; 90 | 406.4 | Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie, 1983, 7, 333-338 |
| 1000192 | CIF | Ag0.5 Cr0.5 P S3 | P 1 2/a 1 | 5.892; 10.632; 6.745 90; 105.88; 90 | 406.4 | Colombet, P; Leblanc, A; Danot, M; Rouxel, J Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~ Nouveau Journal de Chimie, 1983, 7, 333-338 |
| 7053281 | CIF | Ag2 As8 Fe3 Na5 O28 | C 1 2/c 1 | 9.9512; 8.5741; 28.8231 90; 93.91; 90 | 2453.54 | Quarez, Eric; Mentré, Olivier; Djellab, Karim; Masquelier, Christian Crystal structures and sodium/silver distributions within the ionic conductors Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 New Journal of Chemistry, 2010, 34, 287 |
| 7053280 | CIF | Ag2.001 As8 Fe3 Na4.999 O28 | C 1 2/c 1 | 9.9732; 8.5492; 28.664 90; 94.152; 90 | 2437.6 | Quarez, Eric; Mentré, Olivier; Djellab, Karim; Masquelier, Christian Crystal structures and sodium/silver distributions within the ionic conductors Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 New Journal of Chemistry, 2010, 34, 287 |
| 7053282 | CIF | Ag5 Fe3 Na2 O28 P8 | C 1 2/c 1 | 9.5375; 8.3886; 28.0971 90; 93.623; 90 | 2243.45 | Quarez, Eric; Mentré, Olivier; Djellab, Karim; Masquelier, Christian Crystal structures and sodium/silver distributions within the ionic conductors Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 New Journal of Chemistry, 2010, 34, 287 |
| 7053283 | CIF | Ag5 Fe3 Na2 O28 P8 | C 1 2/c 1 | 28.551; 8.3631; 30.064 90; 111.89; 90 | 6661 | Quarez, Eric; Mentré, Olivier; Djellab, Karim; Masquelier, Christian Crystal structures and sodium/silver distributions within the ionic conductors Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 New Journal of Chemistry, 2010, 34, 287 |
| 7051673 | CIF | Ag7 As8 Fe3 O28 | P 1 21/c 1 | 9.9139; 8.6068; 28.904 90; 93.317; 90 | 2462.2 | Quarez, Eric; Mentré, Olivier; Oumellal, Yassine; Masquelier, Christian Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As) New Journal of Chemistry, 2009, 33, 998 |
| 7051674 | CIF | Ag7 As8 Fe3 O28 | C 1 2/c 1 | 9.9285; 8.6101; 29.039 90; 93.5228; 90 | 2477.72 | Quarez, Eric; Mentré, Olivier; Oumellal, Yassine; Masquelier, Christian Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As) New Journal of Chemistry, 2009, 33, 998 |
| 7051671 | CIF | Ag7 Fe3 O28 P8 | P 1 21/c 1 | 9.532; 8.421; 28.021 90; 93.225; 90 | 2245.7 | Quarez, Eric; Mentré, Olivier; Oumellal, Yassine; Masquelier, Christian Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As) New Journal of Chemistry, 2009, 33, 998 |
| 7051672 | CIF | Ag7 Fe3 O28 P8 | C 1 2/c 1 | 9.5561; 8.4417; 28.2257 90; 93.465; 90 | 2272.8 | Quarez, Eric; Mentré, Olivier; Oumellal, Yassine; Masquelier, Christian Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As) New Journal of Chemistry, 2009, 33, 998 |
| 7055456 | CIF | Al N O8 Si Y4 | P 1 21/c 1 | 7.4491; 10.3933; 11.0563 90; 109.711; 90 | 805.831 | Hua, Youjie; Li, Xiaojun; Zhang, Dawei; Ma, Hongping; Deng, Degang; Xu, Shiqing The crystal structure and luminescence properties of novel Ce3+and Ce3+, Sm3±activated Y4SiAlO8N phosphors for near-UV white LEDs New J. Chem., 2016, 40, 5458 |
| 7059611 | CIF | Al2 B2 F2 O6 Sn | I 41/a m d :2 | 11.828; 11.828; 10.242 90; 90; 90 | 1432.9 | Wang, Ya; Han, Jian; Huang, Junben; Yang, Zhihua; Huang, Shuzhao; Pan, Shilie From BaAl2(BO3)2O to SnAl2(BO3)2F2: structure transformation based on ion regulation New Journal of Chemistry, 2020, 44, 9852-9857 |
| 7053892 | CIF | Al3 K6 Na3 O24 P6 | P 1 21/c 1 | 19.9204; 9.6139; 13.2845 90; 98.934; 90 | 2513.3 | Wang, Ying; Pan, Shilie; Han, Shujuan; Dong, Lingyun; Zhang, Min; Wu, Kui Synthesis and characterization of a new aluminophosphate with a Al3P6O249− three-dimensional framework New Journal of Chemistry, 2014, 38, 889 |
| 7055443 | CIF | Al4.68 B8 La2 O22 | P -6 2 m | 4.6149; 4.6149; 18.72 90; 90; 120 | 345.27 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge New J. Chem., 2016, 40, 4870 |
| 7053683 | CIF | As F10 H2 Tl | P 1 21/c 1 | 5.5533; 5.7652; 21.9287 90; 93.279; 90 | 700.92 | Mazej, Zoran; Goreshnik, Evgeny Fluoride ion donor properties of group 13 trifluorides (MF3, M = Al, Ga, In, Tl) and crystal structures of InF3·3SbF5, TlF3·3SbF5 and TlF3·AsF5·2HF New Journal of Chemistry, 2010, 34, 2806 |
| 7055713 | CIF | B Gd3 O3 S3 | P -1 | 3.9725; 7.5945; 11.1824 91.402; 91.093; 90.206 | 337.2 | Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd) New J. Chem., 2016, 40, 6720 |
| 9016429 | CIF | B H2 O2 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.371 | Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J. The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 772-775 |
| 7056282 | CIF | B10 Ca3 O23 V2 | P -1 | 6.5251; 11.4616; 12.7135 114.126; 103.656; 90.594 | 837.09 | Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers New J. Chem., 2017 |
| 7060761 | CIF | B10 La2 Na2 O19 | C 1 2/c 1 | 11.0023; 6.5793; 18.0616 90; 91.02; 90 | 1307.23 | Wu, Chengfa; Feng, Junwei; Yu, Feng Na2La2B10O19: a new lanthanum sodium borate with infinite 2D layer 2∞[B10O19]8− and moderate birefringence New Journal of Chemistry, 2021, 45, 13592-13598 |
| 7053979 | CIF | B10 O21 Pb4 Zn2 | P b c n | 14.6062; 17.4899; 13.2962 90; 90; 90 | 3396.7 | Yu, Hongwei; Wu, Hongping; Pan, Shilie; Zhang, Bingbing; Dong, Lingyun; Han, Shujuan; Yang, Zhihua Pb4Zn2B10O21: a congruently melting lead zinc borate with a novel [B10O24] anionic group and an interesting [Pb4O12]∞chain New Journal of Chemistry, 2014, 38, 285 |
| 7056283 | CIF | B10 O23 Sr3 V2 | P -1 | 6.639; 11.571; 12.998 114.333; 103.334; 90.432 | 879.3 | Chen, Zhaohui; Liu, Yaqin; Shi, Yunjing; Zhang, Wenyao; Jing, Qun; Fang, Yuan; Dong, Xiaoyu M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]\ιnfty double layers New J. Chem., 2017 |
| 7057510 | CIF | B11 H6 N O18 | C 1 2/c 1 | 14.103; 10.167; 10.86 90; 106.765; 90 | 1491 | Huang, Chunmei; Zhang, Fangfang; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie NH4B11O16(OH)2: a new ammonium borate with wavy-shaped polycyclic 2∞[B11O16(OH)2] layers New Journal of Chemistry, 2018, 42, 12091 |
| 7061927 | CIF | B12 Ba0.58 Ca0.42 Li7 O24 Sc | R -3 :H | 14.9; 14.9; 6.5867 90; 90; 120 | 1266.4 | Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges New Journal of Chemistry, 2022, 46, 19629-19632 |
| 7061928 | CIF | B12 Li7 O24 Sc Sr | R -3 :H | 14.8742; 14.8742; 6.5524 90; 90; 120 | 1255.4 | Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges New Journal of Chemistry, 2022, 46, 19629-19632 |
| 7053242 | CIF | B16 Cd3 H53.5 Na3.5 O79.5 V12 | P -1 | 12.393; 12.925; 20.31 93.317; 91.661; 100.267 | 3193 | Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers New Journal of Chemistry, 2013, 37, 4077 |
| 7053243 | CIF | B16 H51 Na O76 V12 Zn2 | C 1 2/c 1 | 17.048; 17.431; 23.628 90; 90.063; 90 | 7021 | Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers New Journal of Chemistry, 2013, 37, 4077 |
| 7061165 | CIF | B18 H56 O80 V12 | C 1 2/c 1 | 18.968; 18.443; 19.815 90; 92.77; 90 | 6924 | Liu, Xinxin; Zhang, Le; Zhao, SiSi; Guo, Biao; Zhao, Zhen Water assisted high proton conductance in a pure-inorganic framework vanadoborate New Journal of Chemistry, 2022, 46, 974-980 |
| 7059319 | CIF | B19 Ba24 O57 Rb9 | P -3 m 1 | 16.977; 16.977; 7.282 90; 90; 120 | 1817.6 | Niu, Xiaowen; Wang, Li Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb9Ba24(BO3)19 New Journal of Chemistry, 2020, 44, 3882-3887 |
| 7050579 | CIF | B2 H4 O4 | P 1 21/c 1 | 7.409; 7.666; 7.0421 90; 116.04; 90 | 359.37 | Baber, R. Angharad; Norman, Nicholas C.; Orpen, A. Guy; Rossi, Jean The solid-state structure of diboronic acid, B2(OH)4 New Journal of Chemistry, 2003, 27, 773 |
| 7062810 | CIF | B2 Mg3.17 Ni6.83 | R -3 m :H | 4.9496; 4.9496; 20.48 90; 90; 120 | 434.511 | Zhang, Weidong; Zhou, Juanfang; Zhang, Chao; Liu, Xinliang Aggregation-induced emission and reversible mechanoresponsive behavior of boryl substituted phenothiazine New Journal of Chemistry, 2023, 47, 20510-20516 |
| 7057546 | CIF | B3 Ba Li O9 Zn3 | P 1 2/c 1 | 6.583; 4.933; 12.34 90; 90.968; 90 | 400.7 | Chen, Yanna; Zhang, Min; Pan, Shilie BaLiZn3(BO3)3: a new member of the KBe2BO3F2 family possessing dense BO3 triangles and the smallest interlayer distance New Journal of Chemistry, 2018, 42, 12365 |
| 7056068 | CIF | B3 Be3 F4 Li O9 Sr3 | R 3 m :H | 10.3062; 10.3062; 8.3458 90; 90; 120 | 767.7 | Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers New J. Chem., 2017 |
| 7058371 | CIF | B3 Ca4 K O9 | A m a 2 | 10.621; 11.489; 6.534 90; 90; 90 | 797 | Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges New Journal of Chemistry, 2019, 43, 9354 |
| 7058372 | CIF | B3 Ca4 K0.59 O9 Rb0.41 | A m a 2 | 10.62; 11.543; 6.523 90; 90; 90 | 799.6 | Ren, Peng; Yang, Yun; Li, Hao; Yang, Zhihua; Pan, Shilie Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges New Journal of Chemistry, 2019, 43, 9354 |
| 7055225 | CIF | B3 Cd4 Nd O10 | C 1 m 1 | 8.0536; 15.872; 3.5364 90; 100.268; 90 | 444.81 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7054438 | CIF | B3 Cd4 O10 Yb | C 1 m 1 | 7.938; 15.794; 3.4414 90; 99.992; 90 | 424.9 | Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties New J. Chem., 2014, 38, 6186 |
| 7055135 | CIF | B3 Li O9 Sr Tb2 | P -3 m 1 | 10.3845; 10.3845; 6.4739 90; 90; 120 | 604.6 | Chen, Pengyun; Xia, Mingjun; Li, R. K. A terbium rich orthoborate LiSrTb2(BO3)3and its analogues New J. Chem., 2015, 39, 9389 |
| 7058622 | CIF | B36 H68 K8 O145 V24 | C 1 2/c 1 | 20.5946; 17.0697; 19.444 90; 92.231; 90 | 6830.2 | Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Scarpetta-Pizo, Laura; Cañón-Mancisidor, Walter; Gutierrez-Cutiño, Marlen; Le Fur, Eric; Paredes-Garcia, Veronica; Venegas-Yazigi, Diego The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]. From an experimental and theoretical understanding. New Journal of Chemistry, 2019 |
| 7058623 | CIF | B36 K18 O159 V24 | C 1 2/c 1 | 22.469; 18.076; 16.8452 90; 98.239; 90 | 6771.1 | Hermosilla-Ibáñez, Patricio; Wrighton-Araneda, Kerry; Scarpetta-Pizo, Laura; Cañón-Mancisidor, Walter; Gutierrez-Cutiño, Marlen; Le Fur, Eric; Paredes-Garcia, Veronica; Venegas-Yazigi, Diego The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]. From an experimental and theoretical understanding. New Journal of Chemistry, 2019 |
| 7062967 | CIF | B4 H16 Hf | P -4 3 m | 5.946; 5.946; 5.946 90; 90; 90 | 210.2 | Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry, 2024, 48, 2743-2754 |
| 7062966 | CIF | B4 H16 Zr | P -4 3 m | 5.955; 5.955; 5.955 90; 90; 90 | 211.2 | Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures New Journal of Chemistry, 2024, 48, 2743-2754 |
| 7058576 | CIF | B4 H4 K2 O9 | P b c n | 10.205; 6.629; 12.045 90; 90; 90 | 814.8 | Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks New Journal of Chemistry, 2019, 43, 11660 |
| 7058577 | CIF | B4 H6 K2 O10 | P -1 | 7.1689; 7.8464; 8.9736 68.583; 88.338; 74.86 | 452.36 | Shi, Tingting; Zhang, Fangfang; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie K2[B4O5(OH)4]·H2O and K2[B4O5(OH)4]: two new hydrated potassium borates with isolated [B4O5(OH)4]2− units and different structural frameworks New Journal of Chemistry, 2019, 43, 11660 |
| 7055226 | CIF | B5 Ca3 Nd3 O15 | P 63 m c | 10.4864; 10.4864; 6.2665 90; 90; 120 | 596.772 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7060355 | CIF | B5 Gd O10 Zn | P 1 21/n 1 | 8.5905; 7.5936; 9.3872 90; 93.398; 90 | 611.28 | Ma, Qin; Tong, Tinghao; Su, Zhi Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges New Journal of Chemistry, 2021, 45, 4823-4827 |
| 7060356 | CIF | B5 O10 Y Zn | P 1 21/n 1 | 8.518; 7.5935; 9.3523 90; 93.755; 90 | 603.62 | Ma, Qin; Tong, Tinghao; Su, Zhi Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges New Journal of Chemistry, 2021, 45, 4823-4827 |
| 7060261 | CIF | B6 F2 K Na O9 | P 1 21/c 1 | 9.274; 10.062; 11.598 90; 126.54; 90 | 869.5 | Chen, Zilong; Feng, Junwei; Dai, Bin; Yu, Feng NaKB6O9F2: a new complex alkali metal fluorooxoborate with puckered layers New Journal of Chemistry, 2021, 45, 2974-2980 |
| 7062379 | CIF | B6 O12 Sr Zn2 | P -1 | 6.5206; 6.5408; 11.4026 79.29; 83.151; 61.048 | 417.89 | Long, Xiangyu; Lv, Yan; Wu, Xueyan Discovery of SrZn2B6O12 with an unprecedented quadruple-layered configuration New Journal of Chemistry, 2023, 47, 6041-6044 |
| 7058492 | CIF | B8 Ba4 Li3 O22 Sc3 | P -1 | 9.7959; 10.2519; 11.5878 85.069; 68.734; 62.795 | 960.02 | Meng, Xianghe; Xia, Mingjun; Li, Rukang Li3Ba4Sc3(BO3)4(B2O5)2: featuring the coexistence of isolated BO3 and B2O5 units New Journal of Chemistry, 2019, 43, 11469 |
| 7062333 | CIF | Ba Ce Cu S3 | P n m a | 10.674; 4.12; 13.409 90; 90; 90 | 589.69 | Shahid, Omair; Yadav, Sweta; Maity, Debanjan; Deepa, Melepurath; Niranjan, Manish K.; Prakash, Jai Synthesis, crystal structure, DFT, and photovoltaic studies of BaCeCuS3 New Journal of Chemistry, 2023, 47, 5378-5389 |
| 7057771 | CIF | Ba Cl Cu H3 O3 | P 1 21/m 1 | 4.1335; 6.674; 9.1613 90; 100.43; 90 | 248.56 | Wang, Ming-Qing; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao BaCu(OH)3Cl: a new one-dimensional Mott insulator with a CuO2 chessboard layer New Journal of Chemistry, 2018, 42, 18077 |
| 7060927 | CIF | Ba Cl N O3 | P n m a | 8.9108; 5.2991; 8.3414 90; 90; 90 | 393.87 | Chen, Zhen; Zeng, Hao; Han, Shujuan; Yang, Zhihua; Pan, Shilie From BaCl2 to Ba(NO3)Cl: significantly enhanced birefringence derived from π-conjugated [NO3] New Journal of Chemistry, 2021, 45, 17544-17550 |
| 7061574 | CIF | Ba H I3 O9 | P 1 21/c 1 | 7.777; 8; 13.79 90; 92.803; 90 | 856.9 | Ma, Wenjuan; Huang, Jianlong; Dai, Bin; Yu, Feng BaI3O9H: a new alkaline-earth metal hydroxy iodate with two groups New Journal of Chemistry, 2022, 46, 12482-12487 |
| 7057343 | CIF | Ba H6 N4 O11 Pt | P -1 | 8.3841; 8.422; 9.5643 81.036; 71.001; 60.479 | 555.65 | Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V. Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides New Journal of Chemistry, 2018, 42, 8843 |
| 7062526 | CIF | Ba O17 U4 | P -1 | 4.232; 8.199; 10.649 87.4; 78.53; 75.01 | 349.79 | Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications New Journal of Chemistry, 2023, 47, 13286-13296 |
| 7056078 | CIF | Ba O6 Pb Si2 | C m c m | 5.5092; 15.45; 7.287 90; 90; 90 | 620.2 | Dong, Lingyun; Jia, Liangliang; Wang, Lijun New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16 New J. Chem., 2017 |
| 7056920 | CIF | Ba1.75 Li0.5 S4 Sn | I -4 3 d | 14.577; 14.577; 14.577 90; 90; 90 | 3097.5 | Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation New Journal of Chemistry, 2018, 42, 3350 |
| 7056918 | CIF | Ba1.75 Li0.5 Se4 Sn | I -4 3 d | 15.1628; 15.1628; 15.1628 90; 90; 90 | 3486.1 | Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation New Journal of Chemistry, 2018, 42, 3350 |
| 7056917 | CIF | Ba1.75 Na0.5 S4 Sn | I -4 3 d | 14.807; 14.807; 14.807 90; 90; 90 | 3246.4 | Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation New Journal of Chemistry, 2018, 42, 3350 |
| 7056919 | CIF | Ba1.75 Na0.5 Se4 Sn | I -4 3 d | 15.4163; 15.4163; 15.4163 90; 90; 90 | 3663.9 | Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation New Journal of Chemistry, 2018, 42, 3350 |
| 7056079 | CIF | Ba2 O10 Pb S Si2 | P n m a | 7.252; 5.4841; 24.352 90; 90; 90 | 968.5 | Dong, Lingyun; Jia, Liangliang; Wang, Lijun New lead(II) borates in the PbO/PbF2/H3BO3 ternary phase diagram: syntheses and structures of β-Pb6B10O21 and Pb4B8O16 New J. Chem., 2017 |
| 7062527 | CIF | Ba2 O40.5 U11 | C 1 2/c 1 | 13.251; 10.389; 25.13 90; 90.33; 90 | 3459.5 | Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications New Journal of Chemistry, 2023, 47, 13286-13296 |
| 7061236 | CIF | Ba4 Bi3 Na O12 | P -1 | 8.5415; 8.5421; 8.5441 89.996; 89.995; 90.016 | 623.4 | Hossain, Khandaker Monower; Saiduzzaman, Md; Kumada, Nobuhiro; Takei, Takahiro; Yamane, Hisanori Hydrothermal synthesis and crystal structure of a novel double-perovskite-type bismuth oxide with 3 : 1 ordering at the B-site New Journal of Chemistry, 2022, 46, 3595-3601 |
| 7063074 | CIF | Ba5 O40 Si8 Y12 Zn | I -4 2 m | 18.7014; 18.7014; 5.364 90; 90; 90 | 1876.02 | Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units New Journal of Chemistry, 2024, 48, 3594-3602 |
| 7058489 | CIF | Bi Na2 S4 Sb | F m -3 m | 5.7603; 5.7603; 5.7603 90; 90; 90 | 191.13 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7058490 | CIF | Bi Na2 Sb Se4 | F m -3 m | 5.9648; 5.9648; 5.9648 90; 90; 90 | 212.22 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7058491 | CIF | Bi Na2 Sb Te4 | F m -3 m | 6.3315; 6.3315; 6.3315 90; 90; 90 | 253.82 | Alahmari, Fatimah; Dey, Somnath; Emwas, Abdul-Hamid; Davaasuren, Bambar; Rothenberger, Alexander Ultra-low thermal conductivity in Na/Sb chalcobismuthates: synthesis, crystal structures, optical properties and 23Na NMR spectroscopy New Journal of Chemistry, 2019, 43, 10814 |
| 7062548 | CIF | Bi0.75 O1.75 V0.25 | P -1 | 5.7337; 7.1029; 9.298 80.334; 78.576; 68.557 | 343.58 | Shvanskaya, Larisa; Krikunova, Polina; Nikolaeva, Irina; Lyssenko, Konstantin; Pokryshkin, Nikolay; Timoshenko, Victor Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure New Journal of Chemistry, 2023, 47, 13911-13917 |
| 7063147 | CIF | Bi2.49 Cl Na2.51 O12 P3 | P -6 | 9.7197; 9.7197; 13.8019 90; 90; 120 | 1129.21 | Belokoneva, Elena L.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.; Govorko, Nadezhda B. Hydrothermally synthesized first acentric apatite (Bi5Na5)[PO4]6Cl2 with wide Bi–Na isomorphism and doubled c-axis New Journal of Chemistry, 2024, 48, 7940-7945 |
| 7062547 | CIF | Bi2.5 K0.5 O6.5 P | P 1 21/c 1 | 8.0264; 5.4616; 27.769 90; 95.697; 90 | 1211.3 | Shvanskaya, Larisa; Krikunova, Polina; Nikolaeva, Irina; Lyssenko, Konstantin; Pokryshkin, Nikolay; Timoshenko, Victor Novel bismuth oxosalts, β-Bi3O3(VO4) and KBi5O5(PO4)2: synthesis and effect of hydrothermal pressure on the crystal structure New Journal of Chemistry, 2023, 47, 13911-13917 |
| 7050458 | CIF | C Cl2 O S | P 1 21/c 1 | 6.034; 10.311; 7.226 90; 99.72; 90 | 443.1 | Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3 New Journal of Chemistry, 2003, 27, 514 |
| 7054164 | CIF | C Fe N2 | P 63/m m c | 3.2689; 3.2689; 9.4008 90; 90; 120 | 86.996 | Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V.; Klobes, B.; Stork, L.; Dronskowski, R.; Hermann, R. P. Magnetism and lattice dynamics of FeNCN compared to FeO New J. Chem., 2014, 38, 4670 |
| 7058832 | CIF | C H Cd N O Zn | P -1 | 8.3924; 11.0752; 16.47 97.593; 92.113; 112.088 | 1399.8 | Akhtaruzzaman, Akhtaruzzaman; Das, Pubali; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Islam, Sakhiul; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah Two zinc(ii)-based coordination polymers with flexible dicarboxylate and pyridine mixed ligands: effect of π⋯π interactions on electrical activity New Journal of Chemistry, 2019, 43, 16071 |
| 7060963 | CIF | C H Cl N O S | P -1 | 10.44; 11.519; 12.207 112.745; 91.875; 106.279 | 1282.9 | Singh, Vedeshwar Narayan; Sharma, Sitaram The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus New Journal of Chemistry, 2021, 45, 19347-19357 |
| 7062713 | CIF | C H Cl0.04 Co Cu0.04 N O | P 1 21/c 1 | 9.0804; 20.1924; 11.897 90; 91.264; 90 | 2180.8 | Chaudhary, Virendra Kumar; Singh, Sain; Kumar, Kapil; Choudhury, Angshuman R.; Ghosh, Kaushik Facile synthesis of benzoxazole derivatives by a multi-component reaction catalysed by copper complexes capable of generating phenoxyl radical complex New Journal of Chemistry, 2023, 47, 18995-19004 |
| 7062541 | CIF | C H Fe N O | P -1 | 13.17; 13.176; 13.207 60.41; 60.41; 60.46 | 1636.17 | Das, Jayanta; Maji, Sangita; Mandal, Prasenjit; Ghosh, Subhasis; Das, Debasis A tripodal imine-derived Fe(iii) complex for the fluorescence recognition of Mg(ii) via green emission: crystal structure, photophysical interactions and DFT studies New Journal of Chemistry, 2023, 47, 13776-13782 |
| 7061479 | CIF | C H N | P -1 | 8.036; 10.55; 13.26 93.56; 96.81; 94.96 | 1109 | De, Rimpa; Sengupta, Utsav; Savarimuthu, Antony; Misra, Souvik; Nanda, Jayanta; Bera, Mrinal K. A practical and cost-effective approach to polysubstituted pyrimidine derivatives via DBU mediated redox isomerization of propargyl alcohol and subsequent N–C–N fragment condensation New Journal of Chemistry, 2022, 46, 10603-10610 |
| 7053853 | CIF | C H N O | P 21 21 21 | 7.5322; 16.363; 24.127 90; 90; 90 | 2973.6 | Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin Protonation-controlled axial chirality in maleopimaric imides New Journal of Chemistry, 2014, 38, 693 |
| 7058179 | CIF | C H N O | P 1 21 1 | 9.4628; 10.1211; 10.7468 90; 108.784; 90 | 974.4 | Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K. Intertwined gababutin-based supramolecular double helix New Journal of Chemistry, 2019, 43, 4830 |
| 7057751 | CIF | C H N O S | P -1 | 9.563; 10.201; 16.616 89.822; 89.865; 76.378 | 1575 | Liu, Zengchen; Yang, Weijie; Tian, Boshi; Liu, Jin; Zhu, Wenping; Ge, Genwu; Xiao, Lina; Meng, Yuning Fabrication of a self-assembled supramolecular fluorescent nanosensor from functional graphene oxide and its application for the detection of Al3+ New Journal of Chemistry, 2018, 42, 17665 |
| 7060962 | CIF | C H N O S | P -1 | 10.3342; 11.9217; 12.426 115.186; 111.605; 92.28 | 1252.4 | Singh, Vedeshwar Narayan; Sharma, Sitaram The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus New Journal of Chemistry, 2021, 45, 19347-19357 |
| 7051604 | CIF | C H N5 O2 | P 1 21 1 | 5.3358; 9.4799; 8.319 90; 106.989; 90 | 402.44 | Klapötke, Thomas M.; Sabaté, Carles Miró; Stierstorfer, Jörg Neutral 5-nitrotetrazoles: easy initiation with low pollution New Journal of Chemistry, 2009, 33, 136 |
| 7055455 | CIF | C H O | P b c a | 7.615; 23.48; 36.26 90; 90; 90 | 6483 | Wang, Xiu-Zhen; Yang, Hui-Hui; Li, Wei; Han, Bing-Jie; Liu, Yun-Jun Studies on apoptosis in HeLa cells via the ROS-mediated mitochondrial pathway induced by new dibenzoxanthenes New J. Chem., 2016, 40, 5255 |
| 7051804 | CIF | C H2 N4 O5 | F d d 2 | 12.0015; 17.6425; 4.5555 90; 90; 90 | 964.57 | Ye, Chengfeng; Gao, Haixiang; Twamley, Brendan; Shreeve, Jean’ne M. Dense energetic salts of N,N′-dinitrourea (DNU) New Journal of Chemistry, 2008, 32, 317 |
| 7059326 | CIF | C H38 B24 K15 N2 Na O68 | P -6 2 c | 11.1399; 11.1399; 30.495 90; 90; 120 | 3277.3 | Cao, Yuchen; Zhang, Bingbing; Liu, Hongkun; Li, Danni; Wang, Ying NaK15[B4O5(OH)4]6(NO2)2(CO3)·7H2O: assembly of an unprecedented mixed anion inorganic compound via a facile hydrothermal route New Journal of Chemistry, 2020, 44, 4253-4256 |
| 7050392 | CIF | C H5 B9 Br5 Cs | P 4/n m m :2 | 8.3873; 8.3873; 10.5853 90; 90; 90 | 744.64 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7053975 | CIF | C H5 N5 O6 | P 1 21/n 1 | 8.0012; 11.8726; 14.0979 90; 104.441; 90 | 1296.92 | Joo, Young-Hyuk; Min, Byoung Sun Denitration of hydrazinium nitroformate to form hydrazinium dinitromethanide New Journal of Chemistry, 2014, 38, 50 |
| 7050393 | CIF | C H6 B11 Br6 Cs | P 1 2/c 1 | 15.0967; 9.246; 12.5568 90; 97.112; 90 | 1739.24 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7052512 | CIF | C H6 B11 Cl6 Cs | P 1 2/c 1 | 14.5462; 8.8913; 12.2784 90; 97.01; 90 | 1576.15 | Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6] New J. Chem., 2004, 28, 1499-1505 |
| 7051493 | CIF | C H6 N2 O2 S | P -1 | 5.427; 5.828; 7.649 91.97; 95.84; 107.41 | 229.1 | Structure and Vibrational Spectroscopy of Methanesulfonic Acid Hydrazide: an Experimental and Theoretical Study New Journal of Chemistry, 1999 |
| 7053976 | CIF | C H6 N4 O4 | P 1 21/n 1 | 3.701; 13.875; 10.753 90; 98.833; 90 | 545.6 | Joo, Young-Hyuk; Min, Byoung Sun Denitration of hydrazinium nitroformate to form hydrazinium dinitromethanide New Journal of Chemistry, 2014, 38, 50 |
| 7050269 | CIF | C H7 N2 O5 P | P b c a | 7.4613; 8.9753; 17.5018 90; 90; 90 | 1172.05 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7050270 | CIF | C H7 N2 O5 P | P b c a | 7.4667; 8.9827; 17.5438 90; 90; 90 | 1176.68 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052508 | CIF | C H7 N2 O5 P | P b c a | 7.472; 8.9926; 17.5962 90; 90; 90 | 1182.34 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052509 | CIF | C H7 N2 O5 P | P b c a | 7.4858; 9.0041; 17.6597 90; 90; 90 | 1190.31 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7052510 | CIF | C H7 N2 O5 P | P b c a | 7.4904; 9.0176; 17.7254 90; 90; 90 | 1197.27 | Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson Imaging proton migration from X-rays and neutrons New J. Chem., 2004, 28, 718-721 |
| 7051404 | CIF | C H7 N5 O8 P2 Zn2 | P 1 21/n 1 | 8.0893; 12.7708; 10.0663 90; 105.275; 90 | 1003.2 | New Journal of Chemistry, 1999 |
| 7054253 | CIF | C10 H F11 N2 | P 21 21 21 | 5.1335; 9.1624; 24.825 90; 90; 90 | 1167.65 | Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands New Journal of Chemistry, 2014, 38, 2451 |
| 7053093 | CIF | C10 H10 Ag Cl N4 O4 | P 1 21/c 1 | 6.9519; 14.9904; 12.8623 90; 103.276; 90 | 1304.6 | Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John Silver(i) coordination chemistry: from 1-D chains to molecular rectangles New Journal of Chemistry, 2013, 37, 204 |
| 7053094 | CIF | C10 H10 Ag F6 N4 P | P 1 21/c 1 | 6.7927; 15.7016; 13.1938 90; 102.723; 90 | 1372.65 | Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John Silver(i) coordination chemistry: from 1-D chains to molecular rectangles New Journal of Chemistry, 2013, 37, 204 |
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