Materials Data on Ca(MnS2)2 by Materials Project
Abstract
Ca(MnS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd 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 octahedra tilt angles range from 53–65°. All Ca–S bond lengths are 2.68 Å. Mn3+ is bonded to six equivalent S2- atoms to form distorted MnS6 octahedra that share corners with six equivalent CaS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are four shorter (2.36 Å) and two longer (2.90 Å) Mn–S bond lengths. 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:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1320626
- Report Number(s):
- mvc-36
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Ca(MnS2)2; Ca-Mn-S
Citation Formats
The Materials Project. Materials Data on Ca(MnS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320626.
The Materials Project. Materials Data on Ca(MnS2)2 by Materials Project. United States. https://doi.org/10.17188/1320626
The Materials Project. 2020.
"Materials Data on Ca(MnS2)2 by Materials Project". United States. https://doi.org/10.17188/1320626. https://www.osti.gov/servlets/purl/1320626.
@article{osti_1320626,
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 tetragonal I4_1/amd 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 octahedra tilt angles range from 53–65°. All Ca–S bond lengths are 2.68 Å. Mn3+ is bonded to six equivalent S2- atoms to form distorted MnS6 octahedra that share corners with six equivalent CaS4 tetrahedra and edges with six equivalent MnS6 octahedra. There are four shorter (2.36 Å) and two longer (2.90 Å) Mn–S bond lengths. S2- is bonded to one Ca2+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing SCaMn3 tetrahedra.},
doi = {10.17188/1320626},
url = {https://www.osti.gov/biblio/1320626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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