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Crystal structure of a new gallium tellurite: Ga_2Te_4O_(11)

机译:一种新型碲化镓的晶体结构:Ga_2Te_4O_(11)

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摘要

Ga_2Te_4O_(11) crystallises with triclinic symmetry (space group P1) and unit cell parameters: a = 5.125(1) A, b = 6.559(1) A, c = 8.173(2) A, #alpha# = 75.06(2), #beta# = 89.25(2), #gamma# = 69.62(2), Z = 1. Its crystal structure has been refined by a full matrix least-squares process to R_1 = 0.023 and Wr_2 = 0.060 values, on the basis of 2931 independent single crystal X-ray reflections. It can be described as a three-dimensional polyhedral network of independent Te_2O_6 groups of TeO_3 trigonal pyramids and TeO_4 disphenoids sharing corners, and infinite (Te_2O_5)_(infinity) quasi-linear chains of the same corner-sharing TeO_3 and TeO_4 units, linked one to the other via common corner or common edge by GaO_4 and GaO_5 polyhedra. The stereochemical activity of the lone pair of each Te atom has been analysed and a comparison is made with all the known other M_2Te_4O_(11) crystal structures.
机译:Ga_2Te_4O_(11)以三斜对称(空间群P1)和晶胞参数结晶:a = 5.125(1)A,b = 6.559(1)A,c = 8.173(2)A,#alpha#= 75.06(2) ,#beta#= 89.25(2),#gamma#= 69.62(2),Z =1。在此基础上,通过全矩阵最小二乘法将其晶体结构精炼为R_1 = 0.023和Wr_2 = 0.060值2931个独立的单晶X射线反射。可以将其描述为一个由TeO_3三角金字塔和TeO_4六面体共享拐角的独立Te_2O_6组和链接到同一拐角共享TeO_3和TeO_4单元的无限(Te_2O_5)_(infinity)拟线性链组成的三维多面体网络一个通过GaO_4和GaO_5多面体的公共角或公共边缘彼此对接。分析了每个Te原子的孤对的立体化学活性,并与所有其他已知的M_2Te_4O_(11)晶体结构进行了比较。

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