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Title: Materials Data on Ca4Sb2S by Materials Project

Abstract

Ca4Sb2S crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to four equivalent Sb3- and two equivalent S2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.07–3.43 Å. There are one shorter (2.95 Å) and one longer (3.47 Å) Ca–S bond lengths. Sb3- is bonded in a 8-coordinate geometry to eight equivalent Ca2+ atoms. S2- is bonded in a 4-coordinate geometry to eight equivalent Ca2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35269
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca4Sb2S; Ca-S-Sb
OSTI Identifier:
1206972
DOI:
10.17188/1206972

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca4Sb2S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206972.
Persson, Kristin, & Project, Materials. Materials Data on Ca4Sb2S by Materials Project. United States. doi:10.17188/1206972.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca4Sb2S by Materials Project". United States. doi:10.17188/1206972. https://www.osti.gov/servlets/purl/1206972. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206972,
title = {Materials Data on Ca4Sb2S by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca4Sb2S crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to four equivalent Sb3- and two equivalent S2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.07–3.43 Å. There are one shorter (2.95 Å) and one longer (3.47 Å) Ca–S bond lengths. Sb3- is bonded in a 8-coordinate geometry to eight equivalent Ca2+ atoms. S2- is bonded in a 4-coordinate geometry to eight equivalent Ca2+ atoms.},
doi = {10.17188/1206972},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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