Materials Data on ScRu(NF)6 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/1757073/
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资源简介：
ScRu(NF)6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent N+0.33- and six equivalent F1- atoms to form ScN6F6 cuboctahedra that share corners with six equivalent RuN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sc–N bond lengths are 2.47 Å. All Sc–F bond lengths are 2.26 Å. Ru5+ is bonded to six equivalent N+0.33- atoms to form RuN6 octahedra that share corners with six equivalent ScN6F6 cuboctahedra. All Ru–N bond lengths are 2.01 Å. N+0.33- is bonded in a 2-coordinate geometry to one Sc3+, one Ru5+, and one F1- atom. The N–F bond length is 1.47 Å. F1- is bonded in a 1-coordinate geometry to one Sc3+ and one N+0.33- atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
