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Title: Materials Data on Ca2GaSn by Materials Project

Abstract

Ca2GaSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ga and four equivalent Sn atoms. There are one shorter (3.23 Å) and two longer (3.38 Å) Ca–Ga bond lengths. All Ca–Sn bond lengths are 3.27 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ga and three equivalent Sn atoms. All Ca–Ga bond lengths are 3.26 Å. There are one shorter (3.27 Å) and two longer (3.35 Å) Ca–Sn bond lengths. Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.80 Å. Sn is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ga atoms.

Publication Date:
Other Number(s):
mp-1227330
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; Ca2GaSn; Ca-Ga-Sn
OSTI Identifier:
1687462
DOI:
https://doi.org/10.17188/1687462

Citation Formats

The Materials Project. Materials Data on Ca2GaSn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687462.
The Materials Project. Materials Data on Ca2GaSn by Materials Project. United States. doi:https://doi.org/10.17188/1687462
The Materials Project. 2020. "Materials Data on Ca2GaSn by Materials Project". United States. doi:https://doi.org/10.17188/1687462. https://www.osti.gov/servlets/purl/1687462. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687462,
title = {Materials Data on Ca2GaSn by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2GaSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ga and four equivalent Sn atoms. There are one shorter (3.23 Å) and two longer (3.38 Å) Ca–Ga bond lengths. All Ca–Sn bond lengths are 3.27 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ga and three equivalent Sn atoms. All Ca–Ga bond lengths are 3.26 Å. There are one shorter (3.27 Å) and two longer (3.35 Å) Ca–Sn bond lengths. Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.80 Å. Sn is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ga atoms.},
doi = {10.17188/1687462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}