Materials Data on NiP2W 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/1754884/
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资源简介：
WNiP2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W4+ is bonded to six equivalent P3- atoms to form distorted WP6 pentagonal pyramids that share corners with twelve equivalent NiP6 octahedra, edges with six equivalent WP6 pentagonal pyramids, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All W–P bond lengths are 2.47 Å. Ni2+ is bonded to six equivalent P3- atoms to form NiP6 octahedra that share corners with twelve equivalent WP6 pentagonal pyramids, edges with six equivalent NiP6 octahedra, and faces with two equivalent WP6 pentagonal pyramids. All Ni–P bond lengths are 2.31 Å. P3- is bonded in a 6-coordinate geometry to three equivalent W4+ and three equivalent Ni2+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-31
