The crystal structure of lithium tantalum oxyfluoride LiTaO2F2
The crystal structure of lithium tantalum oxyfluoride LiTaO2F2
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氟氧化钽锂LiTaO2F2的晶体结构
DOI：
10.1016/0025-5408(73)90101-3
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发表时间：
1973
影响因子：
5.4
通讯作者：
M. Pouchard
中科院分区：
文献类型：
--
作者：
M. Vlasse;J. Chaminade;M. Pouchard
用单晶衍射法对锂氧氟酸锂LiTaO2 F2的结构进行了分析。其对称性为四方晶系，空间群为I4/mm，晶胞尺寸为：a=3.903±0.003，c=25.380±0.008 Å，包含5个公式单元。结构用帕特森和傅立叶技术求解，并用全矩阵最小二乘法进行修正，R值为0.056。这种结构由无限大的ReO3型块体组成，晶胞厚度为三个单元，垂直于c轴堆积，并沿[110]方向相互移位。这些块由锂原子以正方形金字塔配位方式连接在一起。
A structural analysis of lithium tantalum oxyfluoride LiTaO 2 F 2 has been carried out by means of single-crystal diffraction methods. The symmetry is tetragonal, space group I4/mmm, with a cell having the dimensions: a= 3.903±0.003, c= 25.380±0.008 A ̊ and containing five formula units. The structure was solved by Patterson and Fourier techniques and was refined by full-matrix least squares to an R value of 0.056. The structure consist of infinite ReO 3 type blocks three units-cells thick stacked perpendicularly to the c axis and shifted along the [110] direction with respect to each other. These blocks are connected together by the lithium atoms in a squarepyramidal coordination.