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Title: Materials Data on Ca3Ga3(SnO6)2 by Materials Project

Abstract

Ca3Ga3(SnO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.58 Å) Ca–O bond lengths. Ga is bonded to four equivalent O atoms to form GaO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–O bond lengths are 1.87 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Sn–O bond lengths are 2.09 Å. O is bonded to two equivalent Ca, one Ga, and one Sn atom to form a mixture of distorted corner and edge-sharing OCa2GaSn trigonal pyramids.

Publication Date:
Other Number(s):
mp-1214159
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; Ca3Ga3(SnO6)2; Ca-Ga-O-Sn
OSTI Identifier:
1745152
DOI:
https://doi.org/10.17188/1745152

Citation Formats

The Materials Project. Materials Data on Ca3Ga3(SnO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745152.
The Materials Project. Materials Data on Ca3Ga3(SnO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1745152
The Materials Project. 2020. "Materials Data on Ca3Ga3(SnO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1745152. https://www.osti.gov/servlets/purl/1745152. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1745152,
title = {Materials Data on Ca3Ga3(SnO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Ga3(SnO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.58 Å) Ca–O bond lengths. Ga is bonded to four equivalent O atoms to form GaO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–O bond lengths are 1.87 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Sn–O bond lengths are 2.09 Å. O is bonded to two equivalent Ca, one Ga, and one Sn atom to form a mixture of distorted corner and edge-sharing OCa2GaSn trigonal pyramids.},
doi = {10.17188/1745152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}