Materials Data on Li2HfN2 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1752072/
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资源简介：
Li2HfN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with six equivalent HfN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent HfN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–57°. There are three shorter (2.08 Å) and one longer (2.18 Å) Li–N bond lengths. Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent HfN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All Hf–N bond lengths are 2.23 Å. N3- is bonded to four equivalent Li1+ and three equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing NLi4Hf3 pentagonal bipyramids.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
