Materials Data on Ca(MnSb)2 by Materials Project
Abstract
CaMn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form CaSb6 octahedra that share corners with twelve equivalent MnSb4 tetrahedra, edges with six equivalent CaSb6 octahedra, and edges with six equivalent MnSb4 tetrahedra. All Ca–Sb bond lengths are 3.23 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with six equivalent CaSb6 octahedra, corners with six equivalent MnSb4 tetrahedra, edges with three equivalent CaSb6 octahedra, and edges with three equivalent MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–53°. There are three shorter (2.75 Å) and one longer (2.77 Å) Mn–Sb bond lengths. Sb3- is bonded to three equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing SbCa3Mn4 pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-4150
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ca(MnSb)2; Ca-Mn-Sb
- OSTI Identifier:
- 1207894
- DOI:
- https://doi.org/10.17188/1207894
Citation Formats
The Materials Project. Materials Data on Ca(MnSb)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207894.
The Materials Project. Materials Data on Ca(MnSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1207894
The Materials Project. 2020.
"Materials Data on Ca(MnSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1207894. https://www.osti.gov/servlets/purl/1207894. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207894,
title = {Materials Data on Ca(MnSb)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaMn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form CaSb6 octahedra that share corners with twelve equivalent MnSb4 tetrahedra, edges with six equivalent CaSb6 octahedra, and edges with six equivalent MnSb4 tetrahedra. All Ca–Sb bond lengths are 3.23 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with six equivalent CaSb6 octahedra, corners with six equivalent MnSb4 tetrahedra, edges with three equivalent CaSb6 octahedra, and edges with three equivalent MnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–53°. There are three shorter (2.75 Å) and one longer (2.77 Å) Mn–Sb bond lengths. Sb3- is bonded to three equivalent Ca2+ and four equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing SbCa3Mn4 pentagonal bipyramids.},
doi = {10.17188/1207894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}