Materials Data on Nd3I by Materials Project
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资源简介：
Nd3I is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent I atoms to form a mixture of distorted edge and corner-sharing NdI4 cuboctahedra. All Nd–I bond lengths are 3.68 Å. In the second Nd site, Nd is bonded in a square co-planar geometry to four equivalent I atoms. All Nd–I bond lengths are 3.49 Å. I is bonded to twelve Nd atoms to form a mixture of edge, face, and corner-sharing INd12 cuboctahedra.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)创建时间：
2020-12-30
