Crystal structure of layered perovskite compound, Li2LaTa2O6N
Crystal structure of layered perovskite compound, Li2LaTa2O6N
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DOI：
10.1154/1.3543992
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发表时间：
2011-03-01
影响因子：
0.5
通讯作者：
Fukuda, Koichiro
中科院分区：
文献类型：
--
作者：
Kaga, Motoaki;Kurachi, Hirokazu;Fukuda, Koichiro
Li 2LaTa 2 O 6 N的晶体结构由实验室X射线粉末衍射数据（Cu K α（1））使用Rietveld方法确定。标题化合物为四氢呋喃，空间群为14/mmm。Z=2，晶胞尺寸a= 0.395049（4）nm，c= 1.85097（3）nm，V = 0.288869（6）nm（3）.初始结构模型成功地通过直接方法导出，并通过Rietveld方法进一步改进，为所有原子分配各向异性原子位移参数。最终的可靠性指标为R-wp= 5.73%。S=1.46。R-p= 4.33%。R-B= 1.13%，R-F= 0.53%。Li 2LaTa 2 O 6 N具有与Li 2LaTa 2 O 7类似的层状钙钛矿结构。(C)2011年国际衍射数据中心。[DOI：10.1154/1.3543992]
The crystal structure of Li2LaTa2O6N was determined from laboratory X-ray powder diffraction data (Cu K alpha(1)) using the Rietveld method. The title compound is tetragonal with space group 14/mmm. Z=2, and unit-cell dimensions a=0.395 049(4) nm, c=1.850 97(3) nm, and V =0.288 869(6) nm(3). The initial structural model was successfully derived by the direct methods and further refined by the Rietveld method, with the anisotropic atomic displacement parameters being assigned for all atoms. The final reliability indices were R-wp=5.73%. S=1.46. R-p=4.33%. R-B=1.13%, and R-F=0.53%. Li2LaTa2O6N has a layered perovskite structure similar to that of Li2LaTa2O7. (C) 2011 International Centre for Diffraction Data. [DOI: 10.1154/1.3543992]