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Title: Materials Data on Ca(MnS2)2 by Materials Project

Abstract

Ca(MnS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent S2- atoms to form CaS4 tetrahedra that share corners with twelve equivalent MnS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–S bond lengths are 2.65 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent CaS4 tetrahedra and edges with six equivalent MnS6 octahedra. All Mn–S bond lengths are 2.49 Å. S2- is bonded to one Ca2+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SCaMn3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mvc-12954
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(MnS2)2; Ca-Mn-S
OSTI Identifier:
1318698
DOI:
https://doi.org/10.17188/1318698

Citation Formats

The Materials Project. Materials Data on Ca(MnS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318698.
The Materials Project. Materials Data on Ca(MnS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318698
The Materials Project. 2020. "Materials Data on Ca(MnS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318698. https://www.osti.gov/servlets/purl/1318698. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1318698,
title = {Materials Data on Ca(MnS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(MnS2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent S2- atoms to form CaS4 tetrahedra that share corners with twelve equivalent MnS6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–S bond lengths are 2.65 Å. Mn3+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent CaS4 tetrahedra and edges with six equivalent MnS6 octahedra. All Mn–S bond lengths are 2.49 Å. S2- is bonded to one Ca2+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SCaMn3 tetrahedra.},
doi = {10.17188/1318698},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}