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Title: Materials Data on CaSnS3 by Materials Project

Abstract

CaSnS3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Ca–S bond lengths are 3.00 Å. Sn4+ is bonded to six equivalent S2- atoms to form distorted corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Sn–S bond lengths are 2.58 Å. S2- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing SCa2Sn2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-866471
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; CaSnS3; Ca-S-Sn
OSTI Identifier:
1311567
DOI:
https://doi.org/10.17188/1311567

Citation Formats

The Materials Project. Materials Data on CaSnS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311567.
The Materials Project. Materials Data on CaSnS3 by Materials Project. United States. doi:https://doi.org/10.17188/1311567
The Materials Project. 2020. "Materials Data on CaSnS3 by Materials Project". United States. doi:https://doi.org/10.17188/1311567. https://www.osti.gov/servlets/purl/1311567. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1311567,
title = {Materials Data on CaSnS3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSnS3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca2+ is bonded in a hexagonal planar geometry to six equivalent S2- atoms. All Ca–S bond lengths are 3.00 Å. Sn4+ is bonded to six equivalent S2- atoms to form distorted corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Sn–S bond lengths are 2.58 Å. S2- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing SCa2Sn2 tetrahedra.},
doi = {10.17188/1311567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}