A New Modification of Tellurite Phosphate:β-Te3O3(PO4)2  

作　　者：李龙 庄荣传 宓锦校 黄雅熙 

机构地区：[1]Fujian Key Laboratory of Advanced Materials (Xiamen University), Department of Materials Science and Engineering, College of Materials, Xiamen University [2]State Key Laboratory of Comprehensive Utilization of Low-grade Refractory Gold Ores

出　　处：《Chinese Journal of Structural Chemistry》2018年第9期1417-1425,共9页结构化学（英文）

基　　金：Supported by the National Natural Science Foundation of China(No.21201144);the Natural Science Foundation of Fujian Province(No.2018J07006)

摘　　要：A new modification of tellurite phosphate, β-Te3O3（PO4）2, has been synthesized under hydrothermal conditions and its crystal structure was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P21/n（No. 14）, with a = 11.115（5）, b = 4.7033（19）, c = 17.287（7） ？, β = 106.086（5）°, V = 868.3（6） ？3, Z = 4, P2 Te3 O11, Mr = 620.74, Dc = 4.748 g/cm3, μ（Mo Kα） = 10.438 mm–1 and F（000） = 1096. The final full-matrix least-squares refinement converged to R = 0.0227, wR = 0.0534 for 1984 observed reflections with I 〉 2σ（I）, and R = 0.0240, w R = 0.0540 for all data（2070） and S = 1.117. β-Te3O3（PO4）2 is polymorphic with the known α-Te3O3（PO4）2（Weil H. M. et al. Z. Anorg. Allg. Chem. 2003, 629, 1068-1072）. The crystal structure of β-Te3O3（PO4）2 features a three-dimensional（3D） network composed of Te6 O2220-hexanuclear clusters interconnected by PO4 groups. Te6 O22 hexanuclear cluster is built from three Te2 O8 dimers（edge-sharing TeO5 square pyramids） linked to each via sharing O-corners. The structure difference between α-and β-forms of Te3O3（PO4）2 lies in the polymerization of tellurite oxides TenOm. 1D infinite 1∞{[Te3 O11]10-} single chains are presented in α-Te3O3（PO4）2, while 0D discrete Te6 O22 hexanuclear clusters are observed for β-Te3O3（PO4）2. Moreover, thermal analyses, infrared spectra and UV-Vis-NIR diffuse reflectance are also presented.A new modification of tellurite phosphate, β-Te3O3（PO4）2, has been synthesized under hydrothermal conditions and its crystal structure was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P21/n（No. 14）, with a = 11.115（5）, b = 4.7033（19）, c = 17.287（7） ？, β = 106.086（5）°, V = 868.3（6） ？3, Z = 4, P2 Te3 O11, Mr = 620.74, Dc = 4.748 g/cm3, μ（Mo Kα） = 10.438 mm–1 and F（000） = 1096. The final full-matrix least-squares refinement converged to R = 0.0227, wR = 0.0534 for 1984 observed reflections with I 〉 2σ（I）, and R = 0.0240, w R = 0.0540 for all data（2070） and S = 1.117. β-Te3O3（PO4）2 is polymorphic with the known α-Te3O3（PO4）2（Weil H. M. et al. Z. Anorg. Allg. Chem. 2003, 629, 1068-1072）. The crystal structure of β-Te3O3（PO4）2 features a three-dimensional（3D） network composed of Te6 O2220-hexanuclear clusters interconnected by PO4 groups. Te6 O22 hexanuclear cluster is built from three Te2 O8 dimers（edge-sharing TeO5 square pyramids） linked to each via sharing O-corners. The structure difference between α-and β-forms of Te3O3（PO4）2 lies in the polymerization of tellurite oxides TenOm. 1D infinite 1∞{[Te3 O11]10-} single chains are presented in α-Te3O3（PO4）2, while 0D discrete Te6 O22 hexanuclear clusters are observed for β-Te3O3（PO4）2. Moreover, thermal analyses, infrared spectra and UV-Vis-NIR diffuse reflectance are also presented.

关 键 词：POLYMORPHISM crystal structure PHOSPHATE TELLURITE 

分 类 号：TQ125.3[化学工程—无机化工]