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Title: Materials Data on LiCa3OsO6 by Materials Project

Abstract

LiCa3OsO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent OsO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.75 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Os–O bond lengths are 1.99 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Os5+ atom.

Publication Date:
Other Number(s):
mp-1191787
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; LiCa3OsO6; Ca-Li-O-Os
OSTI Identifier:
1681450
DOI:
https://doi.org/10.17188/1681450

Citation Formats

The Materials Project. Materials Data on LiCa3OsO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681450.
The Materials Project. Materials Data on LiCa3OsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1681450
The Materials Project. 2020. "Materials Data on LiCa3OsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1681450. https://www.osti.gov/servlets/purl/1681450. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1681450,
title = {Materials Data on LiCa3OsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCa3OsO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent OsO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.75 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Os–O bond lengths are 1.99 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Os5+ atom.},
doi = {10.17188/1681450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}