Structural studies of the hydrogen storage material Mg2NiH4. 1. Cubic high-temperature structure
Structural studies of the hydrogen storage material Mg2NiH4. 1. Cubic high-temperature structure
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DOI：
10.1021/ic50223a006
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发表时间：
1981-09
期刊：
影响因子：
--
通讯作者：
K. Yvon;J. Schefer;F. Stucki
中科院分区：
文献类型：
--
作者：
K. Yvon;J. Schefer;F. Stucki
用280/sup 0/C的中子粉末衍射数据确定了Mg/sub 2/NiD/sub 4/高温变质的结构。它是面心立方（空间群Fm 3 m，a = 6.507（2）A），金属原子占据反萤石位置，D原子以无序的结构包围Ni原子，但局部对称性未知。平均结构类似于K/sub 2/PtCl/sub 6/结构类型。金属-氘的平均距离为d（Ni-D）= 1.49（3）A和d（Mg-D）= 2.305（3）A。
The structure of the high-temperature modification of Mg/sub 2/NiD/sub 4/ has been determined from neutron powder diffraction data collected at 280/sup 0/C. It is face-centered cubic (space group Fm3m, with a = 6.507 (2) A) with the metal atoms occupying anti-fluorite positions and the D atoms surrounding the Ni atoms in a disordered configuration of yet unknown local symmetry. The average structure resembles the K/sub 2/PtCl/sub 6/ structure type. The average metal-deuterium distances are d(Ni-D) = 1.49 (3) A and d(Mg-D) = 2.305 (3) A.