Materials Data on BC5 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/1758277/
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资源简介：
BC5 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C+0.60- atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra. All B–C bond lengths are 1.65 Å. There are three inequivalent C+0.60- sites. In the first C+0.60- site, C+0.60- is bonded to two equivalent B3+ and two equivalent C+0.60- atoms to form corner-sharing CB2C2 tetrahedra. Both C–C bond lengths are 1.53 Å. In the second C+0.60- site, C+0.60- is bonded to four equivalent C+0.60- atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.56 Å. In the third C+0.60- site, C+0.60- is bonded to four C+0.60- atoms to form CC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
