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Title: Materials Data on Li3Cr2(AsO4)3 by Materials Project

Abstract

Li3Cr2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Li–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Cr–O bond lengths are 2.01 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.73 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr3+, and one As5+ atom.

Publication Date:
Other Number(s):
mp-779404
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; Li3Cr2(AsO4)3; As-Cr-Li-O
OSTI Identifier:
1306373
DOI:
10.17188/1306373

Citation Formats

The Materials Project. Materials Data on Li3Cr2(AsO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306373.
The Materials Project. Materials Data on Li3Cr2(AsO4)3 by Materials Project. United States. doi:10.17188/1306373.
The Materials Project. 2020. "Materials Data on Li3Cr2(AsO4)3 by Materials Project". United States. doi:10.17188/1306373. https://www.osti.gov/servlets/purl/1306373. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1306373,
title = {Materials Data on Li3Cr2(AsO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Cr2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.47 Å) Li–O bond lengths. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Cr–O bond lengths are 2.01 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.73 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cr3+, and one As5+ atom.},
doi = {10.17188/1306373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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