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Title: Materials Data on Ca3Co4Sn13 by Materials Project

Abstract

Ca3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Ca–Co bond lengths are 3.41 Å. There are four shorter (3.34 Å) and eight longer (3.43 Å) Ca–Sn bond lengths. Co is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Co–Sn bond lengths are 2.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Ca, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.28 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

Publication Date:
Other Number(s):
mp-1200470
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; Ca3Co4Sn13; Ca-Co-Sn
OSTI Identifier:
1744087
DOI:
https://doi.org/10.17188/1744087

Citation Formats

The Materials Project. Materials Data on Ca3Co4Sn13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744087.
The Materials Project. Materials Data on Ca3Co4Sn13 by Materials Project. United States. doi:https://doi.org/10.17188/1744087
The Materials Project. 2020. "Materials Data on Ca3Co4Sn13 by Materials Project". United States. doi:https://doi.org/10.17188/1744087. https://www.osti.gov/servlets/purl/1744087. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744087,
title = {Materials Data on Ca3Co4Sn13 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Ca–Co bond lengths are 3.41 Å. There are four shorter (3.34 Å) and eight longer (3.43 Å) Ca–Sn bond lengths. Co is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Co–Sn bond lengths are 2.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Ca, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.28 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.},
doi = {10.17188/1744087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}