Materials Data on MgSe2 by Materials Project
收藏DataCite Commons2022-12-07 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1681952/
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资源简介：
MgSe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Se1- atoms to form MgSe6 octahedra that share corners with twelve equivalent MgSe6 octahedra and corners with six equivalent SeMg3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Mg–Se bond lengths are 2.75 Å. Se1- is bonded to three equivalent Mg2+ and one Se1- atom to form distorted SeMg3Se tetrahedra that share corners with three equivalent MgSe6 octahedra and corners with fifteen equivalent SeMg3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se–Se bond length is 2.41 Å.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-10-23
