Crystallography Open Database

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4003995 CIFC13 H20 N2 O4 SP 1 21 19.1142; 12.0574; 13.2549
90; 90.651; 90
1456.53Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen
Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate
Chemistry of Materials, 2021
4003996 CIFC4 H8 N2 O3 SP b c a8.0054; 11.1571; 16.1757
90; 90; 90
1444.77Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen
Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate
Chemistry of Materials, 2021
4003997 CIFC5 H10 N2 O3 SC 1 2/c 112.2768; 10.0322; 13.7525
90; 99.64; 90
1669.89Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen
Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate
Chemistry of Materials, 2021
4003998 CIFC13 H20 N2 O4 SP 1 21 19.1224; 12.0569; 13.3229
90; 90.602; 90
1465.28Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen
Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate
Chemistry of Materials, 2021
4003999 CIFC16 H17 Cd N6 O7P 1 21/n 110.0457; 14.95; 13.2054
90; 97.794; 90
1964.9Sharma, Shivani; Mukherjee, Soumya; Desai, Aamod V.; Vandichel, Matthias; Dam, Gourab K.; Jadhav, Ashwini; Kociok-Köhn, Gabriele; Zaworotko, Michael J.; Ghosh, Sujit K.
Efficient Capture of Trace Acetylene by an Ultramicroporous Metal‒Organic Framework with Purine Binding Sites
Chemistry of Materials, 2021
4004000 CIFI2 Re6 S4 Se4P 1 21/n 16.4555; 11.848; 10.308
90; 99.2; 90
778.3Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.
Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds
Chemistry of Materials, 2021
4004001 CIFI2 Re6 Se8P 1 21/n 16.5735; 12.029; 10.402
90; 99.63; 90
810.9Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.
Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds
Chemistry of Materials, 2021
4004002 CIFI2 Re6 S8P 1 21/n 16.3649; 11.607; 10.177
90; 98.77; 90
743.1Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.
Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds
Chemistry of Materials, 2021
4004003 CIFC21 Bi2 Br9 N3C m c m10.5812; 17.5448; 22.7429
90; 90; 90
4222.1Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004004 CIFC15 Bi2 Br9 N3C m c m8.8008; 19.811; 21.429
90; 90; 90
3736.2Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004005 CIFC21 H0 Bi2 Br9 N3P 63/m m c10.4505; 10.4505; 23.2226
90; 90; 120
2196.4Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004006 CIFC8 H24 Bi Br5 N2P 1 21/c 122.5815; 8.7923; 24.089
90; 121.745; 90
4067.2Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004007 CIFC18 Bi2 Br9 N3P b c n22.4702; 18.4743; 19.2456
90; 90; 90
7989.3Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004008 CIFC15 H42 Bi2 Br9 N3P n m a19.5801; 21.328; 8.7346
90; 90; 90
3647.6Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004009 CIFC18 H48 Bi2 Br9 N3P b c n23.0597; 18.4426; 18.2352
90; 90; 90
7755.1Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
Chemistry of Materials, 2021
4004010 CIFC12 H10 Co N4 O4P n n 212.2; 6.783; 10.707
90; 90; 90
886Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop
A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity
Chemistry of Materials, 2021
4004011 CIFO14 P UP 4/n m m :26.9932; 6.9932; 8.908
90; 90; 90
435.64Wang, Xiaoze; Song, Enhai; Qin, Lianjie; Gui, Daxiang; Xu, Zhijun; Xie, Jian; Lei, Min; Zhang, Hongfa; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Liu, Wei; Du, Wei; Wang, Shuao
Fabrication of a Wide Color Gamut pc-WLED Surpassing 107% NTSC Based on a Robust Luminescent Uranyl Phosphate
Chemistry of Materials, 2021
4004012 CIFBa3 Ge3 O14 Te Zn2P 3 2 18.616; 8.616; 5.198
90; 90; 120
334.2Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning
A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution
Chemistry of Materials, 2021
4004013 CIFGe3 O14 Sr3 Te Zn2P 3 2 18.3223; 8.3223; 5.0551
90; 90; 120
303.21Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning
A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution
Chemistry of Materials, 2021
4004014 CIFGe3 O14 Pb3 Te Zn2P 3 2 18.5194; 8.5194; 5.1235
90; 90; 120
322.04Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning
A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution
Chemistry of Materials, 2021
4004015 CIFC16 H40 Bi2 Br12 N4 O4 Rb2P 18.7893; 14.0924; 9.6968
93.982; 67.441; 92.837
1106.15He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong
Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides
Chemistry of Materials, 2021
4004016 CIFC8 H20 Bi Br6 N2 O2 RbP 1 21 18.8725; 14.4071; 9.6558
90; 113.403; 90
1132.7He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong
Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides
Chemistry of Materials, 2021
4004017 CIFC6 H16 Bi I5 N2P 1 21 110.24; 8.4579; 21.347
90; 90.14; 90
1848.8Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004018 CIFC12 H22 Ag Bi I8 N4 OP 18.5577; 9.7387; 18.5585
86.3032; 88.2019; 88.8251
1542.44Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004019 CIFC6 H10 Bi I5 N2P 1 21 110.93; 9.0996; 17.651
90; 90.29; 90
1755.5Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004020 CIFC6 H10 Bi I5 N2C 1 c 119.55; 10.108; 17.163
90; 90; 90
3391.6Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004021 CIFC6 H16.5 Ag0.5 Bi0.5 I4 N2 O0.25C 1 2/c 134.988; 8.4789; 22.226
90; 96.92; 90
6546Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004022 CIFC6 H16 Bi I5 N2P 1 21 112.74; 8.9285; 16.404
90; 90.09; 90
1865.9Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
Chemistry of Materials, 2021
4004023 CIFB2 Co2 NdP -15.7203; 6.546; 6.7887
86.6638; 88.7402; 89.5149
253.705Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J.
Metastable β-NdCo2B2: A Triclinic Polymorph with Magnetic Ordering
Chemistry of Materials, 2021, 33, 6374-6382
4004024 CIFBi5 Na Nb4 O18C m c 2124.9258; 5.4638; 5.4927
90; 90; 90
748.05Kim, Kisung; Lee, Min Hyung; Ok, Kang Min
Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9
Chemistry of Materials, 2021, 33, 6564-6571
4004025 CIFHg3 P2 S8A e a 216.52; 8.223; 9.293
90; 90; 90
1262Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie
Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold
Chemistry of Materials, 2021, 33, 6514-6521
4004026 CIFC24 H42 Ca5 O22 S2P 1 21/c 110.3586; 12.474; 16.2912
90; 93.407; 90
2101.32Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying
Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems
Chemistry of Materials, 2021, 33, 7272-7282
4004027 CIFC34 H29 Cd N9 O6P -120.5838; 15.8576; 16.9689
84.446; 85.324; 69.545
5158.5Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004028 CIFC40 H39 Cd N9 O7P 1 2/c 120.6808; 15.8316; 16.3301
90; 94.133; 90
5332.74Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004029 CIFC20 H18 N4 OP 1 21/c 110.7072; 9.5189; 15.7651
90; 96.508; 90
1596.44Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004030 CIFC29 H20 Cd N8 O5P 1 2/c 120.3536; 15.8322; 16.8859
90; 94.971; 90
5420.88Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004031 CIFC32 H27 Cd N11 O6P -120.4536; 15.7247; 17.0953
86.129; 85.252; 70.324
5154.9Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004032 CIFC36 H30 Cd N8 O5P 1 2/c 120.3536; 15.8322; 16.8859
90; 94.971; 90
5420.88Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004033 CIFC19 H16 N4P 1 21/c 110.6147; 9.0978; 15.2177
90; 96.57; 90
1459.93Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004034 CIFC14 H10 N4C 1 2/c 126.8453; 5.7386; 7.249
90; 107.645; 90
1064.2Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004035 CIFC35 H28 Cd N8 O5P 1 2/c 120.488; 15.7873; 16.812
90; 95.489; 90
5412.91Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Chemistry of Materials, 2021, 33, 7509-7517
4004036 CIFBi Cr O3C 1 2/c 19.4641; 5.479; 9.585
90; 108.568; 90
471.15Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.
Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 7 K
Chemistry of Materials, 2008, 20, 3765-3769
4004037 CIFBi Cr O3C 1 2/c 19.4621; 5.4783; 9.5832
90; 108.569; 90
470.9Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.
Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 50 K
Chemistry of Materials, 2008, 20, 3765-3769
4004038 CIFBi Cr O3C 1 2/c 19.462; 5.4781; 9.5835
90; 108.568; 90
470.89Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.
Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 80 K
Chemistry of Materials, 2008, 20, 3765-3769
4004039 CIFBi Cr O3C 1 2/c 19.4658; 5.481; 9.5879
90; 108.564; 90
471.56Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.
Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 130 K
Chemistry of Materials, 2008, 20, 3765-3769
4004040 CIFBi Cr O3P n m a5.54568; 7.7577; 5.42862
90; 90; 90
233.549Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.
Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 470 K perovskite structure
Chemistry of Materials, 2008, 20, 3765-3769
4004041 CIFO3 Pb VP 4 m m3.80329; 3.80329; 4.64989
90; 90; 90
67.261Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.
Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 90 K
Chemistry of Materials, 2005, 17, 269-273
4004042 CIFO3 Pb VP 4 m m3.80391; 3.80391; 4.6768
90; 90; 90
67.672Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.
Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 300 K
Chemistry of Materials, 2005, 17, 269-273
4004043 CIFO3 Pb VP 4 m m3.80721; 3.80721; 4.69819
90; 90; 90
68.0995Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.
Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 530 K
Chemistry of Materials, 2005, 17, 269-273
4004044 CIFC8 H12 Cu3 N16 NaI 41/a c d :216.378; 16.378; 27.376
90; 90; 90
7343Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong
Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene
Chemistry of Materials, 2021, 33, 7858-7868
4004045 CIFC41 H18 Cu2 N2 O11F m -3 m46.14; 46.14; 46.14
90; 90; 90
98227Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan
Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks
Chemistry of Materials, 2021, 33, 7964-7971
4004046 CIFC41 H18 N2 O11 Zn2F m -3 m46.47; 46.47; 46.47
90; 90; 90
100350Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan
Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks
Chemistry of Materials, 2021, 33, 7964-7971
4004047 CIFC41 H18 Co2 N2 O11F m -3 m46.52; 46.52; 46.52
90; 90; 90
100674Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan
Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks
Chemistry of Materials, 2021, 33, 7964-7971
4004048 CIFBa0.25 Ca3.42 Mg1.18 Sb11 Yb10.15I 41/a c d :216.6247; 16.6247; 22.222
90; 90; 90
6141.7Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M.
Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6)
Chemistry of Materials, 2021, 33, 8059-8069
4004049 CIFCr K Se2C 1 2/m 16.5845; 3.8012; 7.7116
90; 106.548; 90
185.019Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M.
Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2
Chemistry of Materials, 2021, 33, 8070-8078
4004050 CIFC14 H24 Cl2 Fe2 N2 O4P -3 1 m13.5717; 13.5717; 9.9759
90; 90; 120
1591.3Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David
Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order
Chemistry of Materials, 2021, 33, 8712-8721
4004051 CIFN O2 Si YC 1 2/c 16.9973; 12.147; 18.2554
90; 90.7345; 90
1551.5Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa
Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N
Chemistry of Materials, 2021, 33, 8873-8885
4004052 CIFCd Cl Ga9 K4 S16P 18.4328; 9.8807; 9.9005
68.215; 74.887; 84.956
739.49Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong
Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations
Chemistry of Materials, 2021, 33, 8831-8837
4004053 CIFCd Cl Ga9 K4 Se16P 18.772; 10.2955; 10.3146
68.356; 74.92; 84.93
836.01Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong
Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations
Chemistry of Materials, 2021, 33, 8831-8837
4004054 CIFC45 H46 Co6 O34P 21 21 222.57; 28.68; 10.94
90; 90; 90
7082Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.
Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving
Chemistry of Materials, 2021, 33, 8886-8894
4004055 CIFMn2 Na6 O24 P6 Ti2C 1 2 115.2567; 8.8952; 8.8314
90; 124.806; 90
984.1Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L
Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5)
Chemistry of Materials, 2021, 33, 8394-8403
4004056 CIFC185 H278 Ag43 K N6 O112 P5 W30P -121.7545; 23.2675; 35.6129
92.351; 98.585; 110.774
16579.2Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun
Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate
Chemistry of Materials, 2021, 33, 9708-9714
4004057 CIFAg0.28 Mn0.86 Sb2 Yb2P 63 m c4.654; 4.654; 7.6686
90; 90; 120
143.85Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing
Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)
Chemistry of Materials, 2021, 33, 9732-9740
4004058 CIFAg0.58 Ca2 Mn0.71 Sb2P 63 m c4.6848; 4.6848; 7.7443
90; 90; 120
147.2Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing
Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)
Chemistry of Materials, 2021, 33, 9732-9740
4004059 CIFC40 H64 Cl10 N4 Sb2P 1 n 118.4709; 9.53635; 18.6873
90; 114.223; 90
3001.86Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo
Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield
Chemistry of Materials, 2022, 34, 537-546
4004060 CIFC8 H20 Cl5 N2 SbP b c a11.7848; 11.8754; 23.334
90; 90; 90
3265.57Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo
Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield
Chemistry of Materials, 2022, 34, 537-546
4004061 CIFC8 H20 I4 N2 O2 PbC 1 2/c 19.392; 8.6729; 23.2152
90; 94.5715; 90
1885Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning
Chemistry of Materials, 2022, 34, 756-767
4004062 CIFC4 H10 I3 N O PbP 21 21 218.1767; 8.7039; 16.5225
90; 90; 90
1175.89Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning
Chemistry of Materials, 2022, 34, 756-767
4004063 CIFC1.14 H1.43 N0.86P b c a10.906; 5.7031; 15.132
90; 90; 90
941.2Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming
Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−
Chemistry of Materials, 2022, 34, 1976-1984
4004064 CIFC2 H4 N1.5 O1.5 P0.5P 1 21 14.536; 17.4264; 4.7517
90; 95.35; 90
373.97Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming
Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−
Chemistry of Materials, 2022, 34, 1976-1984
4004065 CIFC24 H22 Cd I4 N4 O2C 1 c 120.5433; 9.6018; 15.8277
90; 102.817; 90
3044.27Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
Chemistry of Materials, 2022, 34, 1737-1745
4004066 CIFC12 H11 Br N2 OP 1 21/c 112.4902; 7.3161; 13.3109
90; 106; 90
1169.22Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
Chemistry of Materials, 2022, 34, 1737-1745
4004067 CIFC12 H11 I N2 OP 1 21/c 112.5159; 7.5277; 13.7218
90; 106.358; 90
1240.48Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
Chemistry of Materials, 2022, 34, 1737-1745
4004068 CIFC24 H22 Br4 Cd N4 O2P -19.2789; 9.3226; 16.7163
97.28; 90.319; 94.783
1429.18Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
Chemistry of Materials, 2022, 34, 1737-1745
4004069 CIFC6 H9 Br4 N3 PbC 1 2/c 116.3428; 9.061; 18.5386
90; 101.743; 90
2687.8Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui
Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity
Chemistry of Materials, 2022, 34, 1699-1709
4004070 CIFC6 H9 Cl4 N3 PbP -18.7977; 8.8461; 9.5142
105.05; 96.33; 115.707
622.8Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui
Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity
Chemistry of Materials, 2022, 34, 1699-1709
4004071 CIFC6 H9 I4 N3 PbC 1 2/c 117.0883; 9.4534; 19.6226
90; 101.866; 90
3102.1Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui
Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity
Chemistry of Materials, 2022, 34, 1699-1709
4004072 CIFGa2 Ir3 LaP 6/m m m5.5884; 5.5884; 3.9063
90; 90; 120
105.65Gui, Xin; Cava, Robert J.
LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir
Chemistry of Materials, 2022, 34, 2824-2832
4004073 CIFC19 H29 N5P 1 21/c 116.1515; 6.0242; 20.0589
90; 109.261; 90
1842.48Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao
Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives
Chemistry of Materials, 2022, 34, 2636-2644
4004074 CIFC32 H48 Ag Cl8 Fe N4C 1 2 138.6306; 7.3226; 7.2843
90; 90.585; 90
2060.45Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
Chemistry of Materials, 2022, 34, 2813-2823
4004075 CIFC36 H56 Ag Cl8 Fe N4P 1 21 17.7313; 35.4619; 7.7347
90; 90.807; 90
2120.39Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
Chemistry of Materials, 2022, 34, 2813-2823
4004076 CIFC32 H48 Cl8 Fe N4 NaP 1 21/c 17.25334; 39.2496; 7.18736
90; 90.6398; 90
2046.05Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
Chemistry of Materials, 2022, 34, 2813-2823
4004077 CIFC8 H28 Ag Cl8 In N4P -17.7161; 7.8117; 9.3428
102.735; 91.155; 90.898
549.06Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
Chemistry of Materials, 2022, 34, 2813-2823
4004078 CIFC8 H28 Ag Cl8 Fe N4P -17.5923; 10.8224; 13.3237
76.162; 89.632; 89.618
1062.96Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng
Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites
Chemistry of Materials, 2022, 34, 2813-2823
4004079 CIFAl3 K Na2 O12 Si3P -17.94578; 5.1687; 15.1654
89.848; 93.6133; 89.9481
621.593Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.
HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility
Chemistry of Materials, 2022, 34, 7159
4004080 CIFAl3 K Na2 O12 Si3P m n 2115.1422; 8.125613; 5.176215
90; 90; 90
636.88Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.
HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility
Chemistry of Materials, 2022, 34, 7159
4004081 CIFCs Gd S2R -3 m :H4.11724; 4.11724; 24.0408
90; 90; 120
352.933Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004082 CIFCs Gd S2P 63/m m c4.11494; 4.11494; 16.0144
90; 90; 120
234.838Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004083 CIFGd2 O2 SP -3 m 13.8535; 3.8535; 6.6663
90; 90; 120
85.729Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004084 CIFGd2 O3I a -310.8113; 10.8113; 10.8113
90; 90; 90
1263.67Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004085 CIFGd2 S3P n m a7.3424; 3.93196; 15.2841
90; 90; 90
441.25Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004086 CIFGd10 S19P 42/n :28.7147; 8.7147; 15.8569
90; 90; 90
1204.27Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004087 CIFGd K S2R -3 m :H4.07711; 4.07711; 21.917
90; 90; 120
315.513Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004088 CIFGd Li S2F m -3 m5.52988; 5.52988; 5.52988
90; 90; 90
169.101Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004089 CIFGd Na S2R -3 m :H4.01349; 4.01349; 19.9189
90; 90; 120
277.869Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004090 CIFGd Rb S2R -3 m :H4.09729; 4.09729; 22.874
90; 90; 120
332.557Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.
'NaGdS2: a promising sulfide for cryogenic magnetic cooling'
Chemistry of Materials, 2022, 34, 1829-1837
4004091 CIFEu2 O7 Si2P n m a13.9144; 8.3502; 5.0557
90; 90; 90
587.41Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004092 CIFGd2 O7 Si2P n m a13.85; 8.291; 5.0507
90; 90; 90
580Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004093 CIFO7 Si2 Tb2P n m a13.817; 8.244; 5.0348
90; 90; 90
573.5Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004094 CIFDy2 O7 Si2P n m a13.725; 8.2019; 5.03
90; 90; 90
566.23Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004095 CIFHo2 O7 Si2P n m a13.6575; 8.1544; 5.0191
90; 90; 90
558.97Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004096 CIFEu2 O7 Si2P -15.3877; 8.5212; 12.8536
90.422; 91.616; 92.247
589.4Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004097 CIFO7 Si2 Sm2P -15.381; 8.537; 12.855
90.173; 90.746; 91.451
590.29Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
4004098 CIFLa2 O7 Si2P 1 21/n 15.4134; 8.799; 13.1858
90; 90.515; 90
628.05Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian
On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence
Chemistry of Materials, 2023, 35, 2635-2646
5000177 CIFC6 H5 N O3P 1 21/c 16.1664; 8.8366; 11.5435
90; 103.39; 90
611.91Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.
Charge Density Study of the Polymorphs of p-Nitrophenol
Chemistry of Materials, 1998, 10, 3498-3505
6000035 CIFCs2 O15 Si6 TiC 1 c 112.998; 7.5014; 15.156
90; 105.8; 90
1420.8Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M.
Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A)
Chemistry of Materials, 2000, 12, 3449-3458
6000060 CIFC8 H6 Co2 O6C 1 2/m 119.943; 3.2895; 6.2896
90; 95.746; 90
410.54Huang, Z. L.; Drillon, M.; Masciocchi, N.; Sironi, A.; Zhao, J. T.; Rabu, P.; Panissod, P.
Ab-initio xrpd crystal structure and giant hysteretic effect (H-c=5.9 T) of a new hybrid terephthalate-based cobalt(II) magnet
Chemistry of Materials, 2000, 12, 2805-2812
6000074 CIFC8 H12 O22 Pb2 ZrC 1 2/c 19.537; 29.622; 8.9398
90; 121.19; 90
2160.5Boudaren, C.; Auffrédic, J. P.; Louër, M.; Louër, D.
Synthesis, structure determination from powder diffraction data, and thermal behavior of lead zirconium oaxalate hydrate Pb2Zr(C2O4)(4)center dot nH(2)O (3 < n < 9)
Chemistry of Materials, 2000, 12, 2324-2333
6000102 CIFH25 Na O51 Si12 Sr4 Ti5C m m m23.1962; 7.2381; 6.9652
90; 90; 90
1169.43Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.
Structure of strontium ion-exchanged ETS-4 microporous molecular sieves
Chemistry of Materials, 2000, 12, 1857-1865
6000112 CIFGa10 H38 O83 Si22 Sr5P n m a8.6826; 13.8828; 16.2484
90; 90; 90
1958.56Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B.
Structural and Sr2+ ion exchange studies of gallosilicate TsG-1
Chemistry of Materials, 2000, 12, 1597-1603
6000286 CIFBa5 Cu Ir3 O12P3c&10.1405; 10.1496; 21.6599
90; 90; 90
2229.28Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.
Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39
Chemistry of Materials, 1999, 11, 1551-1558
6000287 CIFBa16 Cu3 Ir10 O39P 3 2 110.1344; 10.1344; 35.0564
90; 90; 120
3118.14Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.
Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39
Chemistry of Materials, 1999, 11, 1551-1558
6000288 CIFC4 H8 K O12 YI 41/a :211.4612; 11.4612; 8.904
90; 90; 90
1169.62Bataille, T.; Auffredic, J. P.; Louer, D.
Ab initio structure determination and dehydration dynamics of YK(C2O4)(2).4H(2)O studied by X-ray powder diffraction
Chemistry of Materials, 1999, 11, 1559-1567
6000318 CIFCa4 Fe Mn2 O9.75I 4/m m m3.7368; 3.7368; 27.086
90; 90; 90
378.23Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.
Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80
Chemistry of Materials, 1999, 11, 674-683
6000319 CIFFe Mn2 O9.8 Sr4I 4/m m m3.8339; 3.8339; 27.8148
90; 90; 90
408.85Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.
Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80
Chemistry of Materials, 1999, 11, 674-683
6000320 CIFCo La2 O10 Ti3I 4/m m m3.8128; 3.8128; 27.568
90; 90; 90
402.6Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000321 CIFCu La2 O10 Ti3I 4/m m m3.8248; 3.8248; 26.329
90; 90; 90
385.17Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000322 CIFLa2 O10 Ti3 ZnI 4/m m m3.8127; 3.8127; 27.5129
90; 90; 90
399.95Hyeon, K. A.; Byeon, S. H.
Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)
Chemistry of Materials, 1999, 11, 352-357
6000323 CIFC3 H8 O6 P2 ZnP 1 21/n 118.167; 5.085; 8.658
90; 93.63; 90
798.21Poojary, D. M.; Zhang, B. L.; Clearfield, A.
Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)
Chemistry of Materials, 1999, 11, 421-426
6000324 CIFC6 H18 O14 P4 Zn3C 1 2/c 120.5853; 5.0472; 18.014
90; 97.226; 90
1856.76Poojary, D. M.; Zhang, B. L.; Clearfield, A.
Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)
Chemistry of Materials, 1999, 11, 421-426
6000346 CIFAg2 Bi O6 Ti2I b a m5.4897; 5.5195; 7.1758
90; 90; 90
217.43Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000347 CIFAg2 Bi O6 Ti2I 4/m c m5.5166; 5.5166; 7.8134
90; 90; 90
237.79Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000348 CIFAg2 Bi O6 Ti2P m -3 m3.9061; 3.9061; 3.9061
90; 90; 90
59.6Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.
Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3
Chemistry of Materials, 1999, 11, 177-183
6000394 CIFB2 Ir5 Sc3P 4/m b m9.526; 9.526; 3.048
90; 90; 90
276.59Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000395 CIFB2 Be Ir5 Sc2P 4/m b m9.27; 9.27; 2.968
90; 90; 90
255.05Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000396 CIFB2 Ir5 Sc2 TiP 4/m b m9.329; 9.329; 3.103
90; 90; 90
270.05Nagelschmitz, E. A.; Jung, W.
Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties
Chemistry of Materials, 1998, 10, 3189-3195
6000397 CIFH5 Ho O10 S2I 41/a m d6.914; 6.914; 17.246
90; 90; 90
824.42Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000398 CIFEr H5 O10 S2I 41/a m d6.8967; 6.8967; 17.166
90; 90; 90
816.49Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000399 CIFH5 O10 S2 YI 41/a m d6.8875; 6.8875; 17.159
90; 90; 90
813.98Wickleder, M. S.
Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)
Chemistry of Materials, 1998, 10, 3212-3216
6000410 CIFC4 Co N6P n n m5.9985; 7.0711; 7.414
90; 90; 90
314.47Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Chemistry of Materials, 1998, 10, 2552-2560
6000411 CIFC4 N6 NiP n n m5.9736; 7.032; 7.2942
90; 90; 90
306.4Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.
Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)
Chemistry of Materials, 1998, 10, 2552-2560
6000469 CIFC7 H6 K8 N O11 YP -18.229; 9.739; 9.754
60.74; 72.36; 84.67
648.47Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.
Three-dimensional yttrium oxalates possessing large channels
Chemistry of Materials, 2001, 13, 185-191
6000470 CIFC9 H12 N2 O8 YC 1 c 111.552; 17.168; 8.719
90; 130.64; 90
1312.14Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.
Three-dimensional yttrium oxalates possessing large channels
Chemistry of Materials, 2001, 13, 185-191
6000505 CIFC3 H14 F Ga N2 O8 P2P b c m8.642; 19.346; 7.114
90; 90; 90
1189.38Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G.
Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain
Chemistry of Materials, 2000, 12, 1977-1984
6000516 CIFF Ga H4 N O4 PP n a 2112.9207; 6.44; 10.4147
90; 90; 90
866.6Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.
Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type
Chemistry of Materials, 2000, 12, 1393-1399
6000517 CIFF3 Ga2 H9 N2 O8 P2P n a 2112.4967; 7.7015; 9.8463
90; 90; 90
947.64Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.
Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type
Chemistry of Materials, 2000, 12, 1393-1399
6000610 CIFBi Ca3 O22 Sr8P 1 21/c 111.037; 5.971; 19.703
90; 101.46; 90
1272.58Luhrs, C. C.; Molins, E.; Van, Tendeloo G; Beltran-Porter, D.; Fuertes, A.
Crystal structure of Bi6Sr8-xCa3+xO22 (-0.5 <= x <= 1.7): a mixed valence bismuth oxide related to perovskite
Chemistry of Materials, 1998, 10, 1875-1881
6000662 CIFO10 P2 U2P -18.8212; 9.2173; 5.4772
102.622; 97.748; 102.459
416.53Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.
U(UO2)((PO4)2, a new mixed-valence uranium orthophosphate - ab-initio structure determination from powder diffraction data and optical and X-RAY photoelectro spectra
Chemistry of Materials, 1994, 6, 1049-1058
6000663 CIFC16 H48 Ge4 N4 S10P43-n19.549; 19.549; 19.549
90; 90; 90
7470.91Pivan, J. Y.; Achak, O.; Louer, M.; Louer, D.
The novel thiogermanate [(CH3)4N]4GE4S10 with a high cubic cell-volume - ab-initio structure determination from conventional X-ray-powder diffraction
Chemistry of Materials, 1994, 6, 827-830
6000667 CIFO23 P6 Th4P c a m12.8646; 10.4374; 7.0676
90; 90; 90
948.99Benard, P.; Brandel, V.; Dacheux, N.; Jaulmes, S.; Launay, S.; Lindecker, C.; Genet, M.; Louer, D.; Quarton, M.
Th-4(PO4)(4)P2O7, a new thorium phosphate: Synthesis, characterization, and structure determination
Chemistry of Materials, 1996, 8, 181-188
6000683 CIFBi17 O33 V312.27; 12.27; 11.04
90; 90; 90
1662.1Pang, G. S.; Feng, S. H.; Tang, Y. C.; Tan, C. H.; Xu, R. R.
Hydrothermal synthesis, characterization, and ionic conductivity of vanadium-stabilized Bi~17~V~3~O~33~ with fluorite-related superlattice structure
Chemistry of Materials, 1998, 10, 2446-2449
6000735 CIFK O12 P3 U2C 1 2/c 117.4705; 6.7541; 8.0252
90; 102.019; 90
926.2Hawkins, H. T.; Spearing, D. R.; Veirs, D. K.; Danis, J. A.; Smith, D. M.; Tait, C. D.; Runde, W. H.; Spilde, M. N.; Scheetz, B. E.
Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family
Chemistry of Materials, 1999, 11, 2851-2857
9012813 CIFAl Ge H4 K0.9 Na0.1 O5.666C 1 2/c 114.42; 9.87; 23.33
90; 105.92; 90
3193.1Celestian, A. J.; Parise, J. B.; Goodell, C.; Tripathi, A.; Hanson, J.
Time-resolved diffraction studies of ion exchange: K(+) and Na(+) exchange into (Al,Ge) gismondine (GIS)Na24Al24Ge24O96*40(H2O) and K8Al8Ge8O32*8(H2O)
Chemistry of Materials, 2004, 16, 2244-2254
9012923 CIFC5 H18 N4 O21 P4 Sc3P 1 21/n 18.603; 15.476; 16.504
90; 96.877; 90
2181.53Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.
Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks
Chemistry of Materials, 2003, 15, 3818-3825
9014369 CIFNa11 O14 Si4 Ti4P 42/m b c10.6772; 10.6772; 11.885
90; 90; 90
1354.92Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample
Chemistry of Materials, 2010, 22, 4222-4231
9014483 CIFNa Nb O3P b m a5.5625; 15.5495; 5.5138
90; 90; 90
476.911Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00
Chemistry of Materials, 2003, 15, 1872-1878
9014531 CIFNa Nb0.9 O2.95 Ti0.1P b m a5.5428; 15.5632; 5.5094
90; 90; 90
475.261Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1
Chemistry of Materials, 2003, 15, 1872-1878
9014797 CIFCo4 In0.2 Sb12I m -39.05294; 9.05294; 9.05294
90; 90; 90
741.94He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.
Thermoelectric properties of indium-filled skutterudites
Chemistry of Materials, 2006, 18, 759-762
9015148 CIFNa Nb0.85 O2.925 Ti0.15P b m a5.5396; 15.5705; 5.5087
90; 90; 90
475.149Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15
Chemistry of Materials, 2003, 15, 1872-1878
9015824 CIFNa Nb0.8 O2.9 Ti0.2P b m a5.5303; 15.5677; 5.5072
90; 90; 90
474.137Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2
Chemistry of Materials, 2003, 15, 1872-1878
9016099 CIFD4 Na3 O10 Si Ti2P 42/m c m7.8099; 7.8099; 11.956
90; 90; 90
729.251Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016155 CIFD4 Na O9 Si Ti2P 42/m c m7.88; 7.88; 11.953
90; 90; 90
742.214Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.
Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron
Chemistry of Materials, 2010, 22, 4222-4231
9016224 CIFNa Nb0.95 O2.975 Ti0.05P b m a5.5528; 15.5597; 5.514
90; 90; 90
476.409Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05
Chemistry of Materials, 2003, 15, 1872-1878
9017400 CIFCa2 O9 S2P 316.93145; 6.93145; 12.73617
90; 90; 120
529.929Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.
Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4
Chemistry of Materials, 2008, 20, 2124-2132
9017401 CIFCa O4 SP 62 2 26.96895; 6.96865; 6.30044
90; 90; 120
264.983Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.
Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4
Chemistry of Materials, 2008, 20, 2124-2132

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