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Title: Materials Data on Ca3Sc2(GeO4)3 by Materials Project

Abstract

Ca3Sc2Ge3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.57 Å) Ca–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sc–O bond lengths are 2.12 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Sc3+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-21989
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; Ca3Sc2(GeO4)3; Ca-Ge-O-Sc
OSTI Identifier:
1197275
DOI:
https://doi.org/10.17188/1197275

Citation Formats

The Materials Project. Materials Data on Ca3Sc2(GeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197275.
The Materials Project. Materials Data on Ca3Sc2(GeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1197275
The Materials Project. 2020. "Materials Data on Ca3Sc2(GeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1197275. https://www.osti.gov/servlets/purl/1197275. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1197275,
title = {Materials Data on Ca3Sc2(GeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3Sc2Ge3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.57 Å) Ca–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sc–O bond lengths are 2.12 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Sc3+, and one Ge4+ atom.},
doi = {10.17188/1197275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}