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Title: Materials Data on LiCa2ReO6 by Materials Project

Abstract

LiCa2ReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.01 Å. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ca–O bond lengths are 2.76 Å. Re7+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ca2+, and one Re7+ atom.

Publication Date:
Other Number(s):
mp-1205694
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; LiCa2ReO6; Ca-Li-O-Re
OSTI Identifier:
1664319
DOI:
https://doi.org/10.17188/1664319

Citation Formats

The Materials Project. Materials Data on LiCa2ReO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664319.
The Materials Project. Materials Data on LiCa2ReO6 by Materials Project. United States. doi:https://doi.org/10.17188/1664319
The Materials Project. 2019. "Materials Data on LiCa2ReO6 by Materials Project". United States. doi:https://doi.org/10.17188/1664319. https://www.osti.gov/servlets/purl/1664319. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1664319,
title = {Materials Data on LiCa2ReO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa2ReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 2.01 Å. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent ReO6 octahedra. All Ca–O bond lengths are 2.76 Å. Re7+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to one Li1+, four equivalent Ca2+, and one Re7+ atom.},
doi = {10.17188/1664319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}