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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
7245902	CIF	Ag Cr2 H4 O10 Sc	P -1	5.586; 6.054; 7.432 110.74; 90.21; 117.34	204.564	Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features CrystEngComm, 2023, 25, 86-94
7200990	CIF	Ag F3 K	P n m a	6.2689; 8.3015; 6.1844 90; 90; 90	321.844	Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II), CrystEngComm, 2009, 11, 1702
7200988	CIF	Ag F4 K2	C m c a	6.182; 12.632; 6.436 90; 90; 90	502.6	Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II), CrystEngComm, 2009, 11, 1702
7211056	CIF	Ag I3 Mn O9	P -1	8.017; 10.1567; 11.0657 78.156; 89.947; 77.156	858.85	Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates CrystEngComm, 2013, 15, 7776
7211057	CIF	Ag I4 Mn O12	P -1	7.1101; 7.6749; 10.2429 90.078; 103.552; 99.571	535.35	Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates CrystEngComm, 2013, 15, 7776
7200989	CIF	Ag2 F7 K3	C c c a :2	20.8119; 6.3402; 6.2134 90; 90; 90	819.87	Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II), CrystEngComm, 2009, 11, 1702
7222296	CIF	Ag2 Mo O4	F d -3 m :2	9.3177; 9.3177; 9.3177 90; 90; 90	808.96	Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S. Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents CrystEngComm, 2015, 17, 8207
7244949	CIF	Ag3 B6 I O10	P n m a	12.7428; 9.5341; 8.5326 90; 90; 90	1036.64	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7244950	CIF	Ag3 B6 I O10	P n m a	12.7477; 9.5347; 8.5287 90; 90; 90	1036.63	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7244951	CIF	Ag3 B6 I O10	P n m a	12.7504; 9.537; 8.5317 90; 90; 90	1037.46	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7244952	CIF	Ag3 B6 I O10	P n m a	12.7702; 9.5617; 8.5156 90; 90; 90	1039.8	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7244954	CIF	Ag3 B6 I O10	P n m a	12.7566; 9.705; 8.4295 90; 90; 90	1043.6	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7244955	CIF	Ag3 B6 I O10	P n m a	12.7726; 9.5739; 8.4899 90; 90; 90	1038.18	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7216410	CIF	Ag3 Ga3 Se8 Si	I -4 2 d	5.9041; 5.9041; 10.499 90; 90; 90	365.98	Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure CrystEngComm, 2014, 16, 6836
7211058	CIF	Ag3 I6 Mn O18	P -1	6.6378; 6.8724; 10.0243 73.544; 72.194; 81.327	416.51	Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates CrystEngComm, 2013, 15, 7776
7244324	CIF	Ag4 H6 N22	P 1 21/c 1	9.0932; 9.1069; 9.8502 90; 108.847; 90	772	Zhang, Xiaopeng; Hou, Tianyang; Lin, Qiuhan; Wang, Pengcheng; Li, Dongxue; Xu, Yuangang; Lu, Ming Fascinating 3D energetic [Ag2(N5)2(EDA)]n: filling the ethylenediamine molecules into [Ag(N5)]n framework CrystEngComm, 2022
7245758	CIF	Al B7 H3 K2.5 Na0.5 O15	P -1	7.0328; 10.1025; 10.5133 102.48; 102.285; 99.917	693.72	Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra CrystEngComm, 2022
7214849	CIF	Al Ca Er O4	I 4/m m m	3.642; 3.642; 11.814 90; 90; 90	156.7	Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers CrystEngComm, 2012, 14, 7423
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
7240207	CIF	Al H Na O5 P	P 41 21 2	8.4509; 8.4509; 4.7354 90; 90; 90	338.191	Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020
7240208	CIF	Al H Na O5 P	I 4/m m m	6.1977; 6.1977; 10.3826 90; 90; 90	398.81	Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020
7245782	CIF	Al H30 N15 O15	P 1 21/n 1	16.7321; 14.5671; 20.0005 90; 92.771; 90	4869.2	Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii) CrystEngComm, 2022
7245445	CIF	Al Li3 O9.5 P2	P 4	10.9897; 10.9897; 5.9946 90; 90; 90	723.99	Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V. Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures CrystEngComm, 2022
7245446	CIF	Al Na O7 P2	C 1 2/c 1	7.396; 9.7388; 8.2067 90; 106.039; 90	568.1	Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V. Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures CrystEngComm, 2022
7247107	CIF	Al O5 P	P -1	6.8925; 7.1249; 8.6411 89.34; 67.136; 87.675	390.68	Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872
7247106	CIF	Al O7 P2	P 63 m c	5.1806; 5.1806; 12.8377 90; 90; 120	298.39	Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872
7240209	CIF	Al1.17 O6.33 P1.83	P 63/m	7.8692; 7.8692; 7.0721 90; 90; 120	379.26	Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses CrystEngComm, 2020
7240199	CIF	Al1.271 Ga2.1 Gd3 O12 Sc1.629	I a -3 d	12.4372; 12.4372; 12.4372 90; 90; 90	1923.84	Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals CrystEngComm, 2020
7231865	CIF	Al13 H12 Na O70 S4	F -4 3 m	17.779; 17.779; 17.779 90; 90; 90	5619.8	An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions CrystEngComm, 2019, 21, 202
7231864	CIF	Al13 H53 O67 S3	P 1 n 1	14.03; 11.502; 17.598 90; 102.18; 90	2775.9	An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions CrystEngComm, 2019, 21, 202
7210710	CIF	Al2 Ba3 H6 O18 P6	R -3 :H	15.6227; 15.6227; 12.4684 90; 90; 120	2635.44	Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites CrystEngComm, 2013, 15, 2519
7240198	CIF	Al2.3 Ga2.7 Gd3 O12	I a -3 d	12.26148; 12.26148; 12.26148 90; 90; 90	1843.44	Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals CrystEngComm, 2020
7247108	CIF	Al3 O19.5 P6	P 63/m	7.9101; 7.9101; 7.1057 90; 90; 120	385.04	Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures CrystEngComm, 2023, 25, 4864-4872
7228729	CIF	Al4 Co2.323 H24 O40 P8	P 1 21/n 1	8.402; 16.569; 5.108 90; 90; 90	711.1	Zaarour, Moussa; perez, olivier; Boullay, Philippe; Martens, Joern; Mihailova, Boriana D.; Karaghiosoff, Konstantin; Palatinus, Lukáš; Mintova, Svetlana Synthesis of New Framework Cobalt Aluminophosphate by Opening Cobalt Methylphosphonate Layered Material CrystEngComm, 2017
7240448	CIF	Al6 K6 O41.38 P8	P -3	12.925; 12.925; 7.9339 90; 90; 120	1147.83	Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor CrystEngComm, 2020
7247566	CIF	As Br2 La3 S5	C 1 c 1	22.3092; 7.1387; 7.1638 90; 98.471; 90	1128.45	Cicirello, Andrea; Swindle, Andrew; Wang, Jian Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure CrystEngComm, 2023, 25, 6354-6360
7240704	CIF	As Co F Sm	P 4/n m m :2	3.95554; 3.95554; 8.24623 90; 90; 90	129.023	Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions CrystEngComm, 2020
7215353	CIF	As H4 N O2	P 1 21/c 1	5.24562; 4.73223; 12.3051 90; 90.426; 90	305.447	Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz Supramolecular structure of ammonium polyoxoarsenates(iii) CrystEngComm, 2011, 13, 6163
7215354	CIF	As H4 N O2	P 1 21/c 1	5.3555; 4.7543; 12.313 90; 90.124; 90	313.51	Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz Supramolecular structure of ammonium polyoxoarsenates(iii) CrystEngComm, 2011, 13, 6163
7247567	CIF	As2 Cl3 La5 S9	P b c m	7.0472; 7.1152; 37.1137 90; 90; 90	1860.96	Cicirello, Andrea; Swindle, Andrew; Wang, Jian Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure CrystEngComm, 2023, 25, 6354-6360
7241824	CIF	As2 O3	P 1 21/n 1	5.3224; 12.94547; 4.53602 90; 94.289; 90	311.661	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241825	CIF	As2 O3	P 1 21/n 1	5.2379; 12.75457; 4.49625 90; 94.413; 90	299.49	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241826	CIF	As2 O3	P 1 21/n 1	5.1081; 12.49492; 4.4239 90; 94.591; 90	281.45	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241827	CIF	As2 O3	P 1 21/n 1	5.1421; 12.56168; 4.4451 90; 94.552; 90	286.22	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241828	CIF	As2 O3	P 1 21/n 1	5.0748; 12.42717; 4.4031 90; 94.604; 90	276.79	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241829	CIF	As2 O3	P 1 21/n 1	4.9826; 12.26098; 4.3436 90; 94.581; 90	264.51	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241830	CIF	As2 O3	P 1 21/n 1	5.0087; 12.31139; 4.3629 90; 94.593; 90	268.17	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241831	CIF	As2 O3	P 1 21/n 1	4.6166; 11.5551; 4.0512 90; 94.807; 90	215.35	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241832	CIF	As2 O3	P 1 21/n 1	4.8892; 12.10248; 4.2841 90; 94.569; 90	252.69	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241833	CIF	As2 O3	P 1 21/n 1	4.8627; 12.05705; 4.2663 90; 94.603; 90	249.33	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241834	CIF	As2 O3	P 1 21/n 1	4.7015; 11.7503; 4.1387 90; 94.764; 90	227.85	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241835	CIF	As2 O3	P 1 21/n 1	4.8883; 12.1119; 4.28963 90; 94.6135; 90	253.15	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241836	CIF	As2 O3	P 1 21/n 1	5.1811; 12.63631; 4.46609 90; 94.516; 90	291.49	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241837	CIF	As2 O3	P 1 21/n 1	4.5713; 11.4696; 4.007 90; 94.792; 90	209.36	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241838	CIF	As2 O3	P 1 21/n 1	5.07859; 12.4595; 4.41318 90; 94.5756; 90	278.36	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241839	CIF	As2 O3	P 1 21/n 1	4.6442; 11.6134; 4.07822 90; 94.7902; 90	219.19	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241840	CIF	As2 O3	P 1 21/n 1	4.7371; 11.82822; 4.16968 90; 94.711; 90	232.84	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241841	CIF	As2 O3	P 1 21/n 1	4.6069; 11.5455; 4.04391 90; 94.803; 90	214.34	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241842	CIF	As2 O3	P 1 21/n 1	4.7786; 11.9057; 4.1994 90; 94.695; 90	238.11	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241843	CIF	As2 O3	P 1 21/n 1	5.09945; 12.4945; 4.42425 90; 94.5655; 90	280.997	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241844	CIF	As2 O3	P 1 21/n 1	4.8132; 11.9681; 4.23271 90; 94.6883; 90	243.01	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241845	CIF	As2 O3	P 1 21/n 1	5.269; 12.82716; 4.51254 90; 94.364; 90	304.1	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241846	CIF	As2 O3	P 1 21/n 1	4.9201; 12.15166; 4.3032 90; 94.543; 90	256.47	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241847	CIF	As2 O3	P 1 21/n 1	4.5965; 11.5222; 4.0319 90; 94.769; 90	212.8	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241848	CIF	As2 O3	P 1 21/n 1	4.7416; 11.8243; 4.17264 90; 94.7608; 90	233.14	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241849	CIF	As2 O3	P 1 21/n 1	4.5726; 11.4835; 4.0105 90; 94.821; 90	209.84	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241850	CIF	As2 O3	P 1 21/n 1	4.8178; 11.97404; 4.2306 90; 94.607; 90	243.27	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241851	CIF	As2 O3	P 1 21/n 1	4.6657; 11.67; 4.1027 90; 94.7684; 90	222.61	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241852	CIF	As2 O3	P 1 21/n 1	5.29402; 12.885; 4.50656 90; 94.329; 90	306.531	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241853	CIF	As2 O3	P 1 21/n 1	5.27066; 12.7806; 4.48685 90; 94.579; 90	301.28	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241854	CIF	As2 O3	P 1 21/n 1	5.26373; 12.7447; 4.47691 90; 94.687; 90	299.328	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241855	CIF	As2 O3	P 1 21/n 1	5.29025; 12.8566; 4.502 90; 94.44; 90	305.283	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241856	CIF	As2 O3	P 1 21/n 1	5.28841; 12.8335; 4.50014 90; 94.541; 90	304.46	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241857	CIF	As2 O3	P 1 21/n 1	5.26753; 12.7667; 4.48007 90; 94.738; 90	300.251	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241858	CIF	As2 O3	P 1 21/n 1	5.29393; 12.8775; 4.50545 90; 94.381; 90	306.251	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241859	CIF	As2 O3	P 1 21/n 1	5.27158; 12.7597; 4.48224 90; 94.731; 90	300.465	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241860	CIF	As2 O3	P 1 21/n 1	5.2915; 12.8527; 4.50173 90; 94.533; 90	305.205	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241861	CIF	As2 O3	P 1 21/n 1	5.28379; 12.8173; 4.49485 90; 94.618; 90	303.421	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7241862	CIF	As2 O3	P 1 21/n 1	5.2635; 12.732; 4.46891 90; 94.675; 90	298.487	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph CrystEngComm, 2021, 23, 638-644
7231069	CIF	As4 Na5.35 O182.4 U2 W40	I -4	19.8185; 19.8185; 26.1867 90; 90; 90	10285.4	DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry Complexation of tetravalent uranium cations by the As4W40O140 cryptand CrystEngComm, 2018
7239597	CIF	As6 Ce12 Na18 O341 W58	P -1	18.6179; 19.6067; 27.947 99.61; 105.262; 108.594	8970.2	Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions CrystEngComm, 2020, 22, 371-380
7208333	CIF	As8 H8 N2 S13	P b c n	17.299; 11.951; 23.254 90; 90; 90	4808	Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13 CrystEngComm, 2012, 14, 4959
7211069	CIF	Au Eu2 Si3	F m m m	8.306; 9.0369; 14.377 90; 90; 90	1079.1	Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C. Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb) CrystEngComm, 2013, 15, 8006
7211070	CIF	Au0.98 Si3.02 Yb2	F d d d :2	8.2003; 14.187; 16.869 90; 90; 90	1962.5	Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C. Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb) CrystEngComm, 2013, 15, 8006
7229623	CIF	Au11.41 Gd2 Sb3.59	I 4/m m m	7.33; 7.33; 14.105 90; 90; 90	757.8	Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348
7229624	CIF	Au11.98 Gd2 Sb3.02	I 4/m m m	7.307; 7.307; 14.0497 90; 90; 90	750.1	Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348
7229622	CIF	Au3.56 Ba Ga8.44	I 4/m c m	8.771; 8.771; 26.13 90; 90; 90	2010	Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348
7229625	CIF	Au4.38 Ba Ga7.62	I 4/m c m	8.774; 8.774; 26.064 90; 90; 90	2006.5	Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x CrystEngComm, 2018, 20, 348
7214638	CIF	B Be2 F2 K O3	R -3 c :H	4.4201; 4.4201; 37.487 90; 90; 120	634.27	Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2 CrystEngComm, 2012, 14, 6079
7206878	CIF	B H3 O10 P2 Ti	I 41/a m d :2	6.316; 6.316; 16.446 90; 90; 90	656.1	Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure CrystEngComm, 2011, 13, 7185
7231903	CIF	B K0.99 O13 Rb2.01 Sb4	P -1	7.1456; 7.239; 13.4113 82.058; 100.051; 117.205	606.16	Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594
7231901	CIF	B K3 O13 Sb4	P -1	7.1167; 7.2147; 13.2268 81.973; 99.788; 117.046	594.55	Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594
7208306	CIF	B K5 O34 P4 Ta8	P 1 2/c 1	13.8436; 6.4099; 20.5475 90; 125.007; 90	1493.44	Babaryk, Artem A.; Odynets, Ievgen V.; Slobodyanik, Nikolay S.; Baumer, Vyacheslav N.; Khainakov, Sergei Structure-driven mixed-site borate‒phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study CrystEngComm, 2012, 14, 5071
7209918	CIF	B La Mo O6	P 1 21 1	10.2863; 4.1579; 16.339 90; 98.83; 90	690.53	Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6 CrystEngComm, 2013, 15, 5245
7220280	CIF	B N O10 Pb6	P m m n :2	5.7534; 9.4518; 11.2735 90; 90; 90	613.05	Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates CrystEngComm, 2015, 17, 3953
7231902	CIF	B O13 Rb3 Sb4	P -1	7.1593; 7.2533; 13.4894 82.358; 99.999; 117.321	611.75	Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594
7210188	CIF	B O8 P2 Pb Rb	I -4 2 d	7.213; 7.213; 13.987 90; 90; 90	727.7	Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8 CrystEngComm, 2013, 15, 4956
7220059	CIF	B10 D10 Na2	P 1 21/c 1	6.7137; 13.1237; 11.9402 90; 120.524; 90	906.24	Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J. The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach CrystEngComm, 2015, 17, 3533
7220060	CIF	B10 D10 Na2	P 1 21/c 1	6.6535; 12.9636; 11.851 90; 120.203; 90	883.42	Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J. The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach CrystEngComm, 2015, 17, 3533
7216052	CIF	B11 Ba2 H7 O22	P -1	6.7745; 6.8452; 21.531 88.152; 82.974; 60.518	862.2	Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers CrystEngComm, 2014, 16, 5689
7242010	CIF	B11 Cs H2 O18	C 1 2/c 1	14.183; 10.192; 11.348 90; 106.022; 90	1576.7	Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence CrystEngComm, 2021, 23, 35-39
7242009	CIF	B11 H2 K O18	C 1 2/c 1	14.163; 10.101; 10.664 90; 106.827; 90	1460	Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence CrystEngComm, 2021, 23, 35-39
7243563	CIF	B12 Ba H4 O22 Rb2	P 1 21/c 1	9.058; 6.62; 18.294 90; 117.603; 90	972.1	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243363	CIF	B12 Cs5 H8 Li O25	P 1 c 1	9.3037; 10.863; 13.007 90; 96.316; 90	1306.6	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243393	CIF	B12 Cu5.994 Ni0.006 O24	I -4 2 d	11.4978; 11.4978; 5.62608 90; 90; 90	743.764	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7243561	CIF	B12 H12 Na O27 Rb5	R 3 2 :H	11.1487; 11.1487; 20.6785 90; 90; 120	2225.9	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243100	CIF	B12 H13 K O25	P a -3	12.243; 12.243; 12.243 90; 90; 90	1835.1	Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207
7232237	CIF	B12 H2 Li2 Na2 O21	C 1 2/c 1	14.259; 13.0995; 10.2027 90; 123.36; 90	1591.7	Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units CrystEngComm, 2019, 21, 1262
7243565	CIF	B12 H3 Na2 O21 Rb	P a -3	12.3596; 12.3596; 12.3596 90; 90; 90	1888	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7243562	CIF	B12 H4 O22 Rb4	P 1 21/c 1	9.154; 6.6585; 18.6325 90; 117.594; 90	1006.5	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7208247	CIF	B15 K6 Li3 O30 Sc2	R 3 2 :H	12.7186; 12.7186; 14.914 90; 90; 120	2089.3	Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge CrystEngComm, 2012, 14, 5209
7227703	CIF	B16 Gd7.5 O48 Sr12 Yb0.5	P n m a	7.3859; 15.9445; 8.7003 90; 90; 90	1024.59	Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4 CrystEngComm, 2017, 19, 1620
7215730	CIF	B18 H36 K10 O75 V12	P b c a	18.212; 19.276; 19.306 90; 90; 90	6777.5	An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units CrystEngComm, 2014, 16, 4236
7215731	CIF	B18 H46 K10 O80 V12	P -1	11.901; 13.365; 13.987 117.07; 96.342; 107.344	1810	An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units CrystEngComm, 2014, 16, 4236
7243343	CIF	B2 Cu Mn2 Ni3 O10	P b a m	9.1735; 12.2939; 3.0018 90; 90; 90	338.537	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7246706	CIF	B2 Gd Na3 O6	P 1 21/n 1	6.5247; 8.7309; 10.1447 90; 90.8656; 90	577.842	Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E. Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties CrystEngComm, 2023, 25, 2914-2924
7220281	CIF	B2 H N3 O17 Pb6	C 1 2/c 1	12.589; 15.197; 9.669 90; 115.502; 90	1669.6	Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates CrystEngComm, 2015, 17, 3953
7220282	CIF	B2 H N3 O19 Pb8	P -1	9.0637; 9.9713; 11.6123 85.559; 79.021; 88.64	1027.14	Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates CrystEngComm, 2015, 17, 3953
7216556	CIF	B2 K7 O19 P5	P -1	9.9795; 10.1903; 11.6966 91.086; 101.528; 118.691	1013.21	Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units CrystEngComm, 2014, 16, 6848
7246705	CIF	B2 Na3 O6 Pr	P 1 21/n 1	6.6336; 8.8279; 10.2569 90; 90.9385; 90	600.571	Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E. Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties CrystEngComm, 2023, 25, 2914-2924
7224085	CIF	B2 O6 Rb Sb	C 1 c 1	11.7148; 7.1633; 7.4109 90; 125.435; 90	506.71	Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655
7215727	CIF	B20 H22 K8 O57 V6	P 1 21/n 1	12.678; 12.682; 15.44 90; 96.706; 90	2465	An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units CrystEngComm, 2014, 16, 4236
7244188	CIF	B21 Ca3 H6 Li3 O39	P 32 2 1	8.7306; 8.7306; 12.5809 90; 90; 120	830.48	Chen, Chong-An; Yang, Guo-Yu Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates CrystEngComm, 2022
7243364	CIF	B24 Cs10 H16 Li2 O50	P 1 21/c 1	18.5529; 10.8877; 13.0326 90; 96.274; 90	2616.8	Qiu, Qi-Ming; Yang, Guo-Yu Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer CrystEngComm, 2021, 23, 6518-6525
7243394	CIF	B24 Cu11.88 Ni0.12 O48	I -4 2 d	11.49731; 11.49731; 5.62593 90; 90; 90	743.681	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill Metastable growth and infrared spectra of CuB2O4:Ni single crystals CrystEngComm, 2021, 23, 6761-6768
7218932	CIF	B3 Be3 F4 Na O9 Sr3	R 3 m :H	10.4466; 10.4466; 8.3093 90; 90; 120	785.3	Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4 CrystEngComm, 2015, 17, 925
7214428	CIF	B3 Be4 K O9	P 1 2/c 1	6.065; 4.463; 11.55 90; 90.081; 90	312.6	Wang, Shichao; Ye, Ning; Zou, Guohong A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs) CrystEngComm, 2014, 16, 3971
7243483	CIF	B3 Ca4 Ho O10	C 1 m 1	8.09; 16.018; 3.5317 90; 101.284; 90	448.8	Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal CrystEngComm, 2021, 23, 6574-6581
7209847	CIF	B3 Ca4 O10 Pr	C 1 m 1	8.1772; 16.157; 3.6286 90; 101.399; 90	469.95	Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3 CrystEngComm, 2013, 15, 5226
7216216	CIF	B3 Ca4 O10 Tm	C 1 m 1	8.0679; 16.014; 3.5224 90; 101.112; 90	446.56	Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals CrystEngComm, 2014, 16, 7141
7214380	CIF	B3 Ca4.01 O10 Tb0.99	C 1 m 1	8.0715; 16; 3.5454 90; 101.255; 90	449.06	Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal CrystEngComm, 2014, 16, 4008
7225838	CIF	B3 Ca4.03 La0.11 O10 Y0.86	C 1 m 1	8.1214; 16.1024; 3.5623 90; 101.211; 90	456.97	Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205
7244570	CIF	B3 Cd4 Eu O10	C 1 m 1	7.9673; 15.7619; 3.4932 90; 100.186; 90	431.76	Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022
7244568	CIF	B3 Cd4 O10 Sm	C 1 m 1	7.9798; 15.7654; 3.5051 90; 100.208; 90	433.98	Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022
7244569	CIF	B3 Cd4 O10 Tb	C 1 m 1	7.9549; 15.7709; 3.4813 90; 100.227; 90	429.81	Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties CrystEngComm, 2022
7209604	CIF	B3 Cd5 F O9	C 1 m 1	8.057; 15.966; 3.447 90; 100.06; 90	436.6	Zou, Guohong; Zhang, Liyuan; Ye, Ning Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F CrystEngComm, 2013, 15, 2422
7224083	CIF	B3 K2 O8 Sb	P 1 21/c 1	5.9013; 11.0876; 10.9497 90; 103.218; 90	697.47	Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655
7224082	CIF	B3 Na2 O8 Sb	P 1 21/c 1	5.8278; 10.3521; 10.4775 90; 102.948; 90	616.04	Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655
7224084	CIF	B3 O8 Rb2 Sb	P 1 21/c 1	5.9381; 11.2928; 11.3181 90; 103.754; 90	737.2	Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655
7229595	CIF	B3.51 Ba7 F3.47 O10.53	P 63	11.18241; 11.18241; 7.2372 90; 90; 120	783.74	Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu. Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x CrystEngComm, 2012, 14, 6910
7208304	CIF	B36 H61 Na18 O144 V24 Zn	C 1 2/c 1	19.348; 21.786; 16.051 90; 91.82; 90	6762	Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n− CrystEngComm, 2012, 14, 5604
7216053	CIF	B4 Ba Ga H3 O10	P -1	7.108; 7.1372; 9.878 106.885; 91.569; 119.185	409.99	Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers CrystEngComm, 2014, 16, 5689
7248397	CIF	B4 Co1.76 Ni4.24 O12	P n n m	4.4917; 5.4314; 8.3789 90; 90; 90	204.41	Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasil’ev, Alexander D.; Maximov, Nikolai; Aleksandrovsky, A.S.; Andryushchenko, Tatyana; Shabanov, Alexander Crystal growth and cation order of Ni3-xCoxB2O6 oxyborates CrystEngComm, 2024
7243341	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.19375; 12.33041; 3.016669 90; 90; 90	341.978	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7243342	CIF	B4 Cu Mn4 Ni7 O20	P b a m	9.1828; 12.2766; 3.0091 90; 90; 90	339.227	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure CrystEngComm, 2021, 23, 5624-5635
7228083	CIF	B4 H11.25 K2 O12.63	P b c n	11.15; 13.064; 16.411 90; 90; 90	2390.5	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
7245559	CIF	B4 H16 N2 O11	P 1 21 1	7.16499; 10.59066; 7.24742 90; 98.629; 90	543.723	Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M. Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations CrystEngComm, 2022
7245560	CIF	B4 H16 N2 O11	P 1 21 1	7.16499; 10.59066; 7.24742 90; 98.629; 90	543.723	Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M. Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations CrystEngComm, 2022
7228082	CIF	B4 H6 K2 O10	P -1	7.1742; 7.8472; 8.9702 68.551; 88.368; 74.877	452.49	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
7215134	CIF	B45 K21 O90 Yb8	R 3 2 :H	13.2068; 13.2068; 14.76 90; 90; 120	2229.5	Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng A novel UV nonlinear optical crystal material: K21Yb8B45O90 CrystEngComm, 2013, 15, 5064
7213712	CIF	B5 Cs2 Li3 O10	C 2 2 21	7.2256; 11.6583; 12.7817 90; 90; 90	1076.71	Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10 CrystEngComm, 2014, 16, 1978
7216554	CIF	B5 Eu O10 Zn	P 1 21/n 1	8.6173; 7.5994; 9.4036 90; 93.358; 90	614.75	Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates CrystEngComm, 2014, 16, 7689
7243564	CIF	B5 H O9 Rb2	P c a 21	8.5942; 7.6284; 13.1321 90; 90; 90	860.94	Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks CrystEngComm, 2021, 23, 7081-7089
7208231	CIF	B6 Ba2 Mg O12	R -3 :H	7.094; 7.094; 16.721 90; 90; 120	728.7	Li, R. K.; Ma, Yingying Chemical engineering of a birefringent crystal transparent in the deep UV range CrystEngComm, 2012, 14, 5421
7205749	CIF	B6 Br K3 O10	R 3 m :H	10.1153; 10.1153; 8.8592 90; 90; 120	785.02	Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br CrystEngComm, 2011, 13, 2899
7225837	CIF	B6 Ca8 La0.18 O20 Y1.81	C 1 m 1	8.0806; 16.0141; 3.5431 90; 101.206; 90	449.75	Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205
7216553	CIF	B6 Cd2 O12 Pb	P 1 21/n 1	6.557; 6.9924; 19.2094 90; 90.285; 90	880.72	Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates CrystEngComm, 2014, 16, 7689
7209289	CIF	B6 Cl2 H10 Na13 O47 P11	F 2 3	20.479; 20.479; 20.479 90; 90; 90	8589	Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages CrystEngComm, 2013, 15, 2048
7243101	CIF	B6 Cs Ga H3 Na O13	P -1	7.027; 8.039; 11.442 108.567; 93.633; 90.442	611.2	Qiu, Qi-Ming; Yang, Guo-Yu From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates CrystEngComm, 2021, 23, 5200-5207
7244953	CIF	B6 I Na3 O10	P n m a	12.8162; 9.9063; 7.6762 90; 90; 90	974.58	Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide CrystEngComm, 2022
7243488	CIF	B7 Ba12 F4 Li O21	P 42/m b c	13.5174; 13.5174; 14.9399 90; 90; 90	2729.82	Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I. The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals CrystEngComm, 2021, 23, 6599-6609
7245757	CIF	B7 Cs Ga H4 K Na O15.5	P 1 21/n 1	11.5142; 7.0317; 17.2789 90; 92.127; 90	1398	Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra CrystEngComm, 2022
7228081	CIF	B7 Cs2 H5 O14	P 1 21/n 1	8.356; 11.971; 14.109 90; 103.52; 90	1372	Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates CrystEngComm, 2017
7208643	CIF	B7 Li5 O14 Rb2	A m a 2	20.376; 13.5114; 4.39 90; 90; 90	1208.6	Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge CrystEngComm, 2012, 14, 6720
7208302	CIF	B72 H181 Na32 Ni4 O314 V48	C 1 2/c 1	19.3555; 21.7874; 16.0415 90; 92.452; 90	6758.6	Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n− CrystEngComm, 2012, 14, 5604
7210685	CIF	B8 Cd7 Na2 O20	F d d 2	51.5597; 58.692; 3.381 90; 90; 90	10231.4	Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units CrystEngComm, 2013, 15, 3412
7244078	CIF	B9 Cd3 H3 K Na5 O38 P6	P 63/m	12.071; 12.071; 12.118 90; 90; 120	1529.1	Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate CrystEngComm, 2022, 24, 479-483
7205868	CIF	Ba Gd K Mo3 O12	C 1 2/c 1	17.401; 12.226; 5.324 90; 106.19; 90	1087.7	Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure CrystEngComm, 2011, 13, 4069
7245327	CIF	Ba H8 O14 P2 V2	P 1 n 1	6.3867; 12.7855; 6.3889 90; 90.165; 90	521.7	Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system CrystEngComm, 2022
7230694	CIF	Ba K Lu Mo3 O12	C 1 2/c 1	17.346; 12.1461; 5.2406 90; 105.236; 90	1065.31	Wang, G. Q.; Li, L. Y.; Feng, Y. N.; Yu, H.; Zheng, X. H. Tb3± and Yb3±doped novel KBaLu(MoO4)3 crystals with disordered chained structure showing down- and up-conversion luminescence CrystEngComm, 2018, 20, 3657
7216467	CIF	Ba O6 Pb Si2	C m c m	5.5092; 15.45; 7.287 90; 90; 90	620.2	Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion CrystEngComm, 2014
7211346	CIF	Ba O9 Te W2	P n m a	13.9824; 5.5774; 9.8671 90; 90; 90	769.49	Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9 CrystEngComm, 2013, 15, 10197
1540392	CIF	Ba0.1 O4 Si Sr1.9	P m n b	5.674; 7.086; 9.745 90; 90; 90	391.81	Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123
1540393	CIF	Ba0.15 N O4 Si Sr2.85	P m n b	5.6796; 7.1386; 9.7639 90; 90; 90	395.87	Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123
7234925	CIF	Ba0.5 Ga0.33 I2 O6	R -3 :H	11.2465; 11.2465; 11.2217 90; 90; 120	1229.2	Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12 CrystEngComm, 2019, 21, 4981
7214224	CIF	Ba18 F18 In8 S21	P 42/n c m :2	22.0703; 22.0703; 12.6143 90; 90; 90	6144.4	Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure CrystEngComm, 2014, 16, 2788
7229267	CIF	Ba2 Cd2 O12 Se4	P n m a	16.5983; 5.4518; 7.1154 90; 90; 90	643.88	Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations CrystEngComm, 2017
7208002	CIF	Ba2 La3 Li3 O32 W8	C 1 2/c 1	5.323; 13.091; 19.48 90; 91.18; 90	1357	Pan, Yu; Chen, Yujin; Lin, Yanfu; Gong, Xinghong; Huang, Jianhua; Luo, Zundu; Huang, Yidong Structure, spectral properties and laser performance of Tm3±doped Li3Ba2La3(WO4)8 crystal CrystEngComm, 2012, 14, 3930
7208856	CIF	Ba2 Li3 Mo8 O32 Y3	C 1 2/c 1	5.2052; 12.6763; 19.107 90; 91.293; 90	1260.4	Song, Mingjun; Zhou, Weiwei; Wu, Mingyan; Wang, Guofu Structure, thermal and spectroscopic properties of Tm3±doped Li3Ba2Y3(MoO4)8 crystal as a promising candidate for 2 μm lasers CrystEngComm, 2013, 15, 168
7211787	CIF	Ba2 Li3 O32 W8 Y3	C 1 2/c 1	5.181; 12.677; 19.161 90; 92.237; 90	1257.5	Li, Hao; Wang, Guojian; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu Growth and structure of Nd3±doped Li3Ba2Y3(WO4)8 crystal with a disorder structure CrystEngComm, 2010, 12, 1307
7248137	CIF	Ba2 Mn S3	P n m a	8.8896; 4.3363; 17.221 90; 90; 90	663.835	Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S. Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3 CrystEngComm, 2024, 26, 1444-1452
7248138	CIF	Ba2 Mn S3	P n m a	8.824; 4.3415; 17.1357 90; 90; 90	656.458	Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S. Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3 CrystEngComm, 2024, 26, 1444-1452
7216468	CIF	Ba2 O10 Pb S Si2	P n m a	7.252; 5.4841; 24.352 90; 90; 90	968.5	Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion CrystEngComm, 2014
7210711	CIF	Ba3 Ga2 H6 O18 P6	R -3 :H	15.7158; 15.7158; 12.679 90; 90; 120	2712	Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites CrystEngComm, 2013, 15, 2519
7210712	CIF	Ba3 H6 In2 O18 P6	R -3 :H	15.932; 15.932; 13.327 90; 90; 120	2930	Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites CrystEngComm, 2013, 15, 2519
7215189	CIF	Ba4 H61 Na2 O71.5 W12	P 1 21/c 1	11.4467; 23.8573; 12.462 90; 110.458; 90	3188.6	Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties CrystEngComm, 2013, 15, 4721
7214225	CIF	Ba9 F10 In4 S10	P n m a	12.5686; 19.2822; 12.5835 90; 90; 90	3049.6	Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure CrystEngComm, 2014, 16, 2788
7241191	CIF	Bi F3 H2 O	P 63/m	6.1202; 6.1202; 3.6957 90; 90; 120	119.883	Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation CrystEngComm, 2020
7218127	CIF	Bi Ge N O7	P b c a	11.4551; 4.95346; 18.1676 90; 90; 90	1030.87	Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio Discovery of a new crystalline phase: BiGeO2(OH)2(NO3) CrystEngComm, 2014, 16, 10080
7223784	CIF	Bi0.55 Mo O4	I 41/a	5.239; 5.239; 11.567 90; 90; 90	317.5	Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal CrystEngComm, 2015, 17, 8746
7200733	CIF	Bi2 H62 Na5 O107 Pd4.5 W22	P -1	12.8207; 13.1305; 17.407 108.61; 98.928; 109.55	2501.9	Bi, Li-Hua; Dickman, Michael H.; Kortz, Ulrich The palladium(II)-decorated 22-tungsto-2-bismuthate(III), [Pd3(H2O)9Bi2W22O76]8− CrystEngComm, 2009, 11, 965
7208748	CIF	Bi2 La0.5 Na0.5 Nb1.972 O9 W0.023	A 21 a m	5.48754; 5.47967; 24.8523 90; 90; 90	747.31	Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9 CrystEngComm, 2012, 14, 7201
7208747	CIF	Bi2 La0.5 Na0.5 Nb2 O9	A 21 a m	5.49254; 5.47896; 24.8632 90; 90; 90	748.22	Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9 CrystEngComm, 2012, 14, 7201
7210230	CIF	Bi2 Mn Te4	R -3 m :H	4.3337; 4.3337; 40.9103 90; 90; 120	665.4	Lee, Dong Sun; Kim, Tae-Hoon; Park, Cheol-Hee; Chung, Chan-Yeup; Lim, Young Soo; Seo, Won-Seon; Park, Hyung-Ho Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4 CrystEngComm, 2013, 15, 5532
7220303	CIF	Bi2 Mo2.66 O12 W0.34	P 1 21/c 1	7.7212; 11.4938; 11.997 90; 115.507; 90	960.91	Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal CrystEngComm, 2015, 17, 4525
7223785	CIF	Bi2 Mo3 O12	P 1 21/n 1	7.715; 11.5101; 11.1237 90; 103.364; 90	961.04	Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal CrystEngComm, 2015, 17, 8746
7243110	CIF	Bi2 Ni2 O10 P2	P -1	7.4211; 6.5606; 5.1633 83.817; 110.727; 123.412	195.03	Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph CrystEngComm, 2021, 23, 5124-5130
7230340	CIF	Bi2 O9 W2	P b c n	23.705; 5.4148; 5.4345 90; 90; 90	697.56	Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties CrystEngComm, 2018, 20, 2669
7200897	CIF	Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3	P 63	9.5049; 9.5049; 6.9484 90; 90; 120	543.64	Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections CrystEngComm, 2009, 11, 1863
7208746	CIF	Bi2.5 Na0.5 Nb2 O9	A 21 a m	5.48888; 5.4611; 24.9512 90; 90; 90	747.92	Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9 CrystEngComm, 2012, 14, 7201
7232465	CIF	Bi3 Fe Mo2 O12	C 1 2/c 1	16.927; 11.672; 5.263 90; 107.16; 90	993.5	Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2 CrystEngComm, 2019, 21, 2508
7205491	CIF	Br Cu H2 I2 O2 Pb2	I 41/a c d :2	14.5579; 14.5579; 16.2961 90; 90; 90	3453.7	Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices CrystEngComm, 2011, 13, 414
7223037	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6807; 8.8299; 10.9759 90; 94.604; 90	1031.79	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223038	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6575; 8.7649; 10.9567 90; 94.589; 90	1020.21	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223039	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6184; 8.6082; 10.9307 90; 94.591; 90	995.92	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223040	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6243; 8.403; 10.9113 90; 94.483; 90	971.14	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223041	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6792; 8.0977; 10.9004 90; 94.192; 90	940.11	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223042	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.675; 7.8148; 10.8204 90; 93.829; 90	900.66	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223043	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6557; 7.7006; 10.7594 90; 93.693; 90	881.03	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223044	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6379; 7.6361; 10.7112 90; 93.601; 90	868.38	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223045	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6148; 7.568; 10.6476 90; 93.508; 90	853.75	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223046	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.6023; 7.5308; 10.6049 90; 93.439; 90	845.21	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223047	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.5931; 7.4783; 10.5357 90; 93.3; 90	833.24	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223048	CIF	Br2 Co H15 N6 O2	C 1 2/c 1	10.5914; 7.4435; 10.4601 90; 93.121; 90	823.42	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7223049	CIF	Br2 Co H15 N6 O2	C m c m	10.7595; 7.439; 10.089 90; 90; 90	807.52	Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V. A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation CrystEngComm, 2015, 17, 8812
7210786	CIF	Br3 Hg2 I	C m c 21	4.6628; 7.013; 13.081 90; 90; 90	427.8	Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region CrystEngComm, 2013, 15, 4196
7215439	CIF	Br4 Cd4 Hg4 S4	C m m m	9.0533; 18.467; 4.6354 90; 90; 90	775	Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br CrystEngComm, 2011, 13, 3862
7214570	CIF	Br4 Cu H12 N2 O2	P 42/m n m	7.9561; 7.9561; 8.2785 90; 90; 90	524.03	Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498
7214571	CIF	Br4 Cu H12 N2 O2	P -4 21 m	7.9005; 7.9005; 8.1982 90; 90; 90	511.71	Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498
7214572	CIF	Br4 Cu H12 N2 O2	P 42/m n m	7.994; 7.994; 8.275 90; 90; 90	528.81	Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498
7214573	CIF	Br4 Cu H12 N2 O2	P -4 21 m	7.869; 7.869; 8.248 90; 90; 90	510.73	Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal CrystEngComm, 2013, 15, 7498
9017408	CIF	C Ca O3	P 65	7.112; 7.112; 25.4089 90; 90; 120	1113.01	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47
9017409	CIF	C Ca O3	P 32 2 1	7.1239; 7.1239; 25.3203 90; 90; 120	1112.85	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47
9017410	CIF	C Ca O3	A m a 2	8.4905; 6.3905; 4.5026 90; 90; 90	244.305	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47
9017411	CIF	C Ca O3	P 21 21 21	4.3668; 6.5831; 8.4282 90; 90; 90	242.286	Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47
7204864	CIF	C Cl N2 S2	P -1	8.3393; 9.4759; 11.9105 102.8; 90.1883; 104.761	885.74	Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M. Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN CrystEngComm, 2004, 6, 79
7233455	CIF	C D3 N2 O	I 1 2/a 1	9.337; 4.60528; 11.4184 90; 82.134; 90	486.37	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233456	CIF	C D3 N2 O	I 1 2/a 1	9.3394; 4.57648; 11.3816 90; 82.16; 90	481.92	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233457	CIF	C D3 N2 O	I 1 2/a 1	9.485; 3.70468; 12.9889 90; 77.632; 90	445.82	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233458	CIF	C D3 N2 O	I 1 2/a 1	9.4444; 3.46902; 13.1315 90; 77.318; 90	419.73	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233459	CIF	C D3 N2 O	I 1 2/a 1	9.4568; 3.51779; 13.1178 90; 77.346; 90	425.79	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233460	CIF	C D3 N2 O	I 1 2/a 1	9.4526; 3.49778; 13.1229 90; 77.341; 90	423.34	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233461	CIF	C D3 N2 O	I 1 2/a 1	9.338; 4.59377; 11.4034 90; 82.154; 90	484.59	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233462	CIF	C D3 N2 O	I 1 2/a 1	9.3429; 4.55499; 11.3567 90; 82.183; 90	478.81	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233463	CIF	C D3 N2 O	I 1 2/a 1	9.4344; 3.44007; 13.1345 90; 77.317; 90	415.88	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233464	CIF	C D3 N2 O	I 1 2/a 1	9.4644; 3.5503; 13.1017 90; 77.388; 90	429.61	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233465	CIF	C D3 N2 O	I 1 2/a 1	9.4768; 3.61125; 13.0677 90; 77.463; 90	436.55	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233466	CIF	C D3 N2 O	I 1 2/a 1	9.419; 3.39405; 13.1379 90; 77.31; 90	409.74	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233467	CIF	C D3 N2 O	I 1 2/a 1	9.4251; 3.41438; 13.1382 90; 77.309; 90	412.47	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233468	CIF	C D3 N2 O	I 1 2/a 1	9.4033; 3.35415; 13.132 90; 77.321; 90	404.08	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233469	CIF	C D3 N2 O	I 1 2/a 1	9.4113; 3.37412; 13.1358 90; 77.317; 90	406.95	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233470	CIF	C D3 N2 O	I 1 2/a 1	9.4872; 3.81402; 12.8589 90; 77.936; 90	455.02	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233471	CIF	C D3 N2 O	I 1 2/a 1	9.3926; 3.33285; 13.1269 90; 77.329; 90	400.92	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233472	CIF	C D3 N2 O	I 1 2/a 1	9.3308; 4.6415; 11.4721 90; 82.069; 90	492.09	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7233473	CIF	C D3 N2 O	I 1 2/a 1	9.3332; 4.6196; 11.4456 90; 82.101; 90	488.8	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G. Pressure-induced isosymmetric phase transition in biurea CrystEngComm, 2019, 21, 5872
7215799	CIF	C H B F N O	P 1 21/c 1	17.415; 8.8817; 23.87 90; 97.56; 90	3660	Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies CrystEngComm, 2014, 16, 5319
7221053	CIF	C H Cd Cl K N O	P a -3	20.496; 20.496; 20.496 90; 90; 90	8610	Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks CrystEngComm, 2015, 17, 6103
7221059	CIF	C H Cd I N O Rb	P a -3	20.7438; 20.7438; 20.7438 90; 90; 90	8926.2	Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks CrystEngComm, 2015, 17, 6103
7211802	CIF	C H Cl3	P n m a	7.4422; 9.4578; 5.8025 90; 90; 90	408.42	Yufit, D. S.; Howard, J. A. K. Low-melting molecular complexes of chloroform CrystEngComm, 2010, 12, 737
7210986	CIF	C H Co N O	P 42/m	15.0103; 15.0103; 10.0791 90; 90; 90	2270.9	Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands CrystEngComm, 2013, 15, 9553
7210991	CIF	C H Co N O	P 1 2/c 1	12.824; 10.318; 31.48 90; 101.75; 90	4078	Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands CrystEngComm, 2013, 15, 9553
7220386	CIF	C H Cu N7	P 21 21 21	6.7352; 7.5089; 9.6823 90; 90; 90	489.67	Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties CrystEngComm, 2015, 17, 4136
7223768	CIF	C H Li O2	C 1 2/c 1	12.0297; 12.0413; 13.5174 90; 100.597; 90	1924.64	Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K. Coordination environments and π-conjugation in dense lithium coordination polymers CrystEngComm, 2016, 18, 398
7223769	CIF	C H Li O2	C 1 2/c 1	12.0519; 12.0497; 13.5108 90; 101.003; 90	1925.99	Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K. Coordination environments and π-conjugation in dense lithium coordination polymers CrystEngComm, 2016, 18, 398
7243060	CIF	C H O S	P -1	8.301; 18.954; 20.558 114.88; 96.22; 95.19	2884	Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks CrystEngComm, 2021, 23, 4743-4747
7203221	CIF	C H18 Cl2 Co N7 Se	C 1 2/m 1	12.948; 7.334; 13.849 90; 115.35; 90	1188.5	Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth ‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state CrystEngComm, 2006, 8, 215
7218271	CIF	C H2 Ag N5	P 1 21/c 1	3.4771; 10.671; 10.22 90; 94.143; 90	378.21	Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives CrystEngComm, 2014, 16, 10485
7202132	CIF	C H2 Br I	C 1 2/c 1	12.905; 4.573; 16.072 90; 114.79; 90	861.1	Podsiadło, Marcin; Katrusiak, Andrzej Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane CrystEngComm, 2008, 10, 1436
7202133	CIF	C H2 Br I	C 1 2/c 1	12.817; 4.5223; 15.757 90; 114.45; 90	831.4	Podsiadło, Marcin; Katrusiak, Andrzej Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane CrystEngComm, 2008, 10, 1436
7202134	CIF	C H2 Br I	C 1 2/c 1	12.649; 4.4767; 15.425 90; 112.98; 90	804.1	Podsiadło, Marcin; Katrusiak, Andrzej Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane CrystEngComm, 2008, 10, 1436
7226507	CIF	C H2 Cl Hg N5	P 1 21/n 1	8.1233; 6.9274; 8.7456 90; 93.122; 90	491.41	Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865
7226508	CIF	C H2 Cl Hg N5	P 1 21 1	5.8459; 6.9731; 6.1725 90; 94.27; 90	250.92	Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865
7200699	CIF	C H2 Cl I	P n a 21	7.9666; 4.8702; 21.351 90; 90; 90	828.4	Podsiadło, Marcin; Katrusiak, Andrzej Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes CrystEngComm, 2009, 11, 1391
7226506	CIF	C H2 Hg N5	P 1 21/c 1	5.0952; 13.021; 6.8264 90; 105.26; 90	436.93	Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865
7202135	CIF	C H2 I2	F m m 2	7.0153; 12.599; 4.5877 90; 90; 90	405.49	Podsiadło, Marcin; Katrusiak, Andrzej Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane CrystEngComm, 2008, 10, 1436
7216473	CIF	C H3 Br	P n m a	4.372; 6.375; 9.196 90; 90; 90	256.3	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216474	CIF	C H3 Br	P n m a	4.331; 6.358; 9.142 90; 90; 90	251.7	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216475	CIF	C H3 Br	C m c 21	6.387; 5.163; 7.492 90; 90; 90	247.1	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216476	CIF	C H3 Br	C m c 21	6.378; 5.133; 7.413 90; 90; 90	242.7	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216477	CIF	C H3 Br	C m c 21	6.236; 5.017; 7.394 90; 90; 90	231.3	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216469	CIF	C H3 Cl	C m c 21	6.314; 5.031; 7.334 90; 90; 90	233	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216470	CIF	C H3 Cl	C m c 21	6.183; 4.904; 7.317 90; 90; 90	221.9	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216471	CIF	C H3 Cl	C m c 21	6.018; 4.832; 7.035 90; 90; 90	204.6	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7216472	CIF	C H3 Cl	C m c 21	5.967; 4.708; 6.984 90; 90; 90	196.2	Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014
7201032	CIF	C H3 I	P n m a	4.4968; 6.8417; 9.941 90; 90; 90	305.84	Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951
7201033	CIF	C H3 I	P n m a	4.3643; 6.6826; 9.773 90; 90; 90	285.03	Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951
7201034	CIF	C H3 I	P n m a	4.2676; 6.572; 9.611 90; 90; 90	269.6	Podsiadło, Marcin; Katrusiak, Andrzej High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations, CrystEngComm, 2009, 11, 1951
7205235	CIF	C H3 N5	P 21 21 21	5.09; 3.6663; 18.0741 90; 90; 90	337.289	Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99
7205236	CIF	C H3 N5	P 21 21 21	4.9624; 3.2575; 17.5375 90; 90; 90	283.494	Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99
7205237	CIF	C H3 N5	P 21 21 21	4.8628; 3.0809; 17.2703 90; 90; 90	258.74	Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior CrystEngComm, 2011, 13, 99
7246587	CIF	C H4 N2 O2	I 41/a :2	9.197; 9.197; 14.6568 90; 90; 90	1239.74	Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K. Polymorph II of hydroxyurea 150 years after its first synthesis CrystEngComm, 2023, 25, 2712-2716
7246588	CIF	C H4 N2 O2	P 1 21/c 1	8.3422; 4.8944; 8.7962 90; 122.423; 90	303.16	Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K. Polymorph II of hydroxyurea 150 years after its first synthesis CrystEngComm, 2023, 25, 2712-2716
7245600	CIF	C H4 O	P 1 21/c 1	4.3989; 11.809; 10.981 90; 126.69; 90	457.4	Aldum, J. Collen; Jones, Isabelle; McGonigal, Paul R.; Spagnoli, Dino; Stapleton, Nicholas D.; Turner, Gemma F.; Moggach, Stephen A. The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase CrystEngComm, 2022
7203054	CIF	C H5 N3 O4	P 1 21/c 1	7.9761; 8.2004; 7.3668 90; 103.414; 90	468.697	Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu. NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate CrystEngComm, 2007, 9, 991
7215988	CIF	C H6 B F4 N3	R 3 m :H	7.4241; 7.4241; 8.7784 90; 90; 120	419.02	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215989	CIF	C H6 B F4 N3	R 3 m :H	7.4121; 7.4121; 8.65 90; 90; 120	411.6	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215990	CIF	C H6 B F4 N3	R 3 m :H	7.4031; 7.4031; 8.5486 90; 90; 120	405.74	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215991	CIF	C H6 B F4 N3	R 3 :H	7.4011; 7.4011; 8.3856 90; 90; 120	397.79	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215992	CIF	C H6 B F4 N3	R 3 :H	7.3983; 7.3983; 8.346 90; 90; 120	395.62	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215993	CIF	C H6 B F4 N3	R 3 :H	7.3952; 7.3952; 8.2763 90; 90; 120	391.98	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215994	CIF	C H6 B F4 N3	R 3 :H	7.3751; 7.3751; 8.127 90; 90; 120	382.82	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215995	CIF	C H6 B F4 N3	R 3 :H	7.3558; 7.3558; 7.989 90; 90; 120	374.35	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215996	CIF	C H6 Cl N3 O4	R 3 m :H	7.5595; 7.5595; 8.7694 90; 90; 120	434	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215997	CIF	C H6 Cl N3 O4	R 3 m :H	7.5534; 7.5534; 8.6935 90; 90; 120	429.55	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215998	CIF	C H6 Cl N3 O4	R 3 m :H	7.531; 7.531; 8.4767 90; 90; 120	416.35	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7215999	CIF	C H6 Cl N3 O4	R 3 m :H	7.5123; 7.5123; 8.3522 90; 90; 120	408.2	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7216000	CIF	C H6 Cl N3 O4	R 3 m :H	7.4965; 7.4965; 8.2508 90; 90; 120	401.55	Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014
7231905	CIF	C H6 Cl3 N Pb	P m -3 m	5.6867; 5.6867; 5.6867 90; 90; 90	183.9	Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method CrystEngComm, 2019, 21, 656
7210067	CIF	C H6 I N3	P 63 m c	7.1512; 7.1512; 11.963 90; 90; 120	529.82	Szafrański, Marek; Jarek, Marcin Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide CrystEngComm, 2013, 15, 4617
7210068	CIF	C H6 I N3	P 63 m c	7.1641; 7.1641; 12.0317 90; 90; 120	534.79	Szafrański, Marek; Jarek, Marcin Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide CrystEngComm, 2013, 15, 4617

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