Nature of the structural distortion and of the chemical bonding in SnM3Rh4Sn12 (M = LaGd, Yb, Ca, Sr, and Th)
Nature of the structural distortion and of the chemical bonding in SnM3Rh4Sn12 (M = LaGd, Yb, Ca, Sr, and Th)
复制标题
SnM3Rh4Sn12 中结构变形和化学键的性质（M = LaGd、Yb、Ca、Sr 和 Th）
DOI：
10.1016/0022-4596(86)90192-1
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发表时间：
1986
影响因子：
3.3
通讯作者：
G. Espinosa
中科院分区：
文献类型：
--
作者：
S. Miraglia;J. Hodeau;M. Marezio;C. Laviron;M. Ghedira;G. Espinosa
利用单晶x射线衍射数据，对所有Sn(1)M/sub 3/Rh/sub 4/Sn(2)/sub 12/化合物（M = La-Gd, Yb, Ca， Sr和Tb）的晶体结构进行了细化。虽然M = La、Ce、Pr、Nd、Sm和Gd的化合物具有I相结构，但它们的细化是通过使用I相单体电池进行的。两组结构之间唯一显著的区别在于Sn(2)原子的热椭球。除Th化合物外，Sn(2)热椭球的I相结构的长轴平均比I相结构的长0.06 A。Th化合物的Sn(2)热椭球的长轴最长，因此它必须包含I相畸变。
The crystal structure of all the Sn(1)M/sub 3/Rh/sub 4/Sn(2)/sub 12/ compounds (M = La-Gd, Yb, Ca, Sr, and Tb) have been refined from single crystal X-ray diffraction data. Although the compounds with M = La, Ce, Pr, Nd, Sm, and Gd have the phase I' structure the refinements have been carried out by the use of the phase I unit cell. The only significant difference between the two sets of structures lies in the thermal ellipsoid of the Sn(2) atoms. With the exception of the Th compound the major axis of the Sn(2) thermal ellipsoid is on the average 0.06 A longer for the structures of phase I' than for those of phase I. The structure of the Th compound exhibits the longest major axis for the Sn(2) thermal ellipsoid, it must contain thus the phase I' distortion.