CRYSTAL-STRUCTURES OF BETA-CS3SB2CL9 AND CS3BI2CL9
CRYSTAL-STRUCTURES OF BETA-CS3SB2CL9 AND CS3BI2CL9
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DOI：
10.1107/s0567740874004316
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发表时间：
1974-01-01
期刊：
影响因子：
--
通讯作者：
SUDO, T
中科院分区：
文献类型：
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作者：
KIHARA, K;SUDO, T
fl-CsaSbzC19与空间群Pmcn正交。在尺寸为a= 7.630 (20), b= 13.079(3)和c= 18-663(4)/~的单元格中有四个公式单位。利用反射的符号关系确定了该结构，并用全矩阵最小二乘法对其进行了细化。449三维摄影强度的最终R为0 ' 108。该结构是由Cs和Cl原子最密排列，Sb原子在八面体空穴中形成的。单细胞有六层，沿c轴顺序堆叠…ABACBCABACBC……该结构包含两种类型的SbCla分子，一种是Sb-C1= 2.43, C1-CI= 3-52 A，另一种是Sb-Cl= 2”52,C1-C1= 3”73/~。Cs3Bi2C19与fl-Cs3Zb2Cl9是同构的，其胞元尺寸为a= 7.644 (3), b= 13.227 (3), c= 18.684(4)/~。对于253个二维摄影强度，最终R为0.16。该结构还包含两种类型的BiCI3分子，一种是Bi-CI= 2.50, CI-CI= 3-57/~，另一种是Bi-CI= 2-53, CI-CI= 3.69/~。
fl-CsaSbzC19 is orthorhombic with space group Pmcn. There are four formula units in a unit cell of dimensions a= 7.630 (20), b= 13.079 (3) and c= 18-663 (4)/~. The structure has been determined by using the sign relations of reflexions and refined by the full-matrix least-squares method. The final R is 0" 108 for 449 three-dimensional photographic intensities. The structure is formed by Cs and Cl atoms in nearly closest packing and Sb atoms in octahedral holes. The unit cell has six layers which are stacked along the c axis in the sequence... ABACBCABACBC.... The structure contains two types of SbCla molecules, one with the average distances Sb-C1= 2.43, C1-CI= 3-52 A, and the other with Sb-Cl= 2" 52, C1-C1= 3" 73/~. Cs3Bi2C19 is isostructural with fl-Cs3Zb2Cl9 and has a unit cell of dimensions a= 7.644 (3), b= 13.227 (3) and c= 18.684 (4)/~. The final R is 0.16 for 253 two-dimensional photographic intensities. The structure also contains two types of BiCI3 molecules, one with the average distances Bi-CI= 2.50, CI-CI= 3-57/~ and the other with Bi-CI= 2-53, CI-CI= 3.69/~.