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Materials Data on NiSe2 by Materials Project

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DataCite Commons2022-12-28 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1196097/
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资源简介:
NiSe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ni4+ atoms.
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2015-07-23
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