| Synthesis and Structure of a New Polymorph Ba_2CuSi_2O_7 |
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| 作者姓名： | 杜记民 曾卉一 宋立军 董振超 马宏伟 郭国聪 黄锦顺 |
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| 作者单位： | DU Ji-Mina，b ZENG Hui-Yia SONG Li-Juna DONG Zhen-Chaoa② MA Hong-Weia GUO Guo-Conga HUANG Jin-Shuna a(State Key Laboratory of Structural Chemistry，Fujian Institute of Research on the Structure of Matter，The Chinese Academy of Sciences，Fuzhou，Fujian 350002，China) b(Graduate School of the Chinese Academy of Sciences，Beijing 100039，China) |
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| 基金项目： | the Innovative Project (No.IP01007) and Hundred-Talent Program (No. 990168) of the Chinese Academy of Sciences |
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| 摘 要： | 1INTRODUCTIONTheuniqueelectronicpropertiesofcopperoxidesandoxyhalideshaveattractedmuchattentionduetotheirpotentialapplicationsassupercon-ductors,catalysts,luminescentmaterialsandp-typetransparentconductors1].Inanefforttoexplorenewframeworkstructuresofmixed-metaloxyha-lidessuchasCuAgOCl,wehaveobtainedanewpolymorphofthebariumdicopperdisilicate,b-Ba2CuSi2O7.Inthispaper,wewillreportthesolid-statesynthesisandcrystalstructureofthisnewphaseanddiscussthedifferencesbetweenthestructuresofb-Ba2C…
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Synthesis and Structure of a New Polymorph Ba2CuSi2O7 |
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| Abstract: | A new phase of dibarium copper disilicate, b-Ba2CuSi2O7, was obtained by the solid-state reaction. Crystal data: Mr = 506.4, tetragonal, P421m, a = 8.284(2), c = 5.313(3) ? V = 364.6(4) ?, Z = 2, Dc = 4.61 g/cm3, l(MoKa) = 0.71703 ? ?= 13.91 mm-1, F(000) = 450 and T = 293(2) K; the final R = 0.0343, wR = 0.0382 and S = 1.02 for 512 observed reflections (I > 3s(I)) refined by 34 variables. The compound was characterized by a layered structure composed of CuO4 tetrahedra and Si2O7 anions with the Ba cations filling the cavities between the layers. The building blocks of the present structure are similar to those in the a-Ba2CuSi2O7, but the linkage of CuO4 tetrahedra and Si2O7 anions is significantly different. In particular, the double-tetrahedral anions of Si2O76- form an orthogonal arrangement in the present structure, in contrast to the parallel arrangement reported in the a-Ba2CuSi2O7. |
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| Keywords: | pyrosilicate crystal structure barium copper |
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