The crystal structure of YCd6
The crystal structure of YCd6
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YCd6的晶体结构
DOI：
10.1107/s0567740871005028
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发表时间：
1971
期刊：
影响因子：
--
通讯作者：
D. Cromer
中科院分区：
文献类型：
--
作者：
A. Larson;D. Cromer
YCd6为立方晶系，a=15.482(3)~，在IM3空间群中有24个公式单位。结构由计数器数据用直接方法求解，与Ru3Bel7同构，但在24倍Oyz位置上增加了一个Cd原子，该原子占据k。这个分数原子占据了原本有序结构起始处的大空隙。对各向异性热参数进行最小二乘修正，得到R=3.1，RW=2-8%，剔除原子分数后，R=6.4，RW=5“5%。
YCd6 is cubic, a= 15.482 (3)~ with 24 formula units in space group Im3. The structure was solved by direct methods from counter data and is isomorphous with Ru3Bel7, but with an additional Cd atom in a 24-fold Oyz position which is k occupied. This fractional atom occupies the large void at the origin of the otherwise ordered structure. Least-squares refinement with anisotropic thermal parameters gave R= 3.1 and Rw= 2-8%; with the fractional atom excluded, R= 6.4 and Rw= 5" 5%.