Materials Data on Ca3Mn by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
下载链接：
https://www.osti.gov/servlets/purl/1756950/
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资源简介：
Ca3Mn is alpha bismuth trifluoride structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to four equivalent Ca and four equivalent Mn atoms to form a mixture of distorted edge, face, and corner-sharing CaCa4Mn4 tetrahedra. There are one shorter (3.45 Å) and three longer (3.47 Å) Ca–Ca bond lengths. There are one shorter (3.45 Å) and three longer (3.47 Å) Ca–Mn bond lengths. In the second Ca site, Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Ca atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
