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

Dataset ·
DOI:https://doi.org/10.17188/1306373· OSTI ID:1306373

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1306373
Report Number(s):
mp-779404
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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