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Title: Materials Data on LiCr(GeO3)2 by Materials Project

Abstract

LiCrGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.16–2.44 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.95–2.10 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–63°. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Cr3+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OLiCr2Ge tetrahedra. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalentmore » Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-1105411
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; LiCr(GeO3)2; Cr-Ge-Li-O
OSTI Identifier:
1678620
DOI:
https://doi.org/10.17188/1678620

Citation Formats

The Materials Project. Materials Data on LiCr(GeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678620.
The Materials Project. Materials Data on LiCr(GeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1678620
The Materials Project. 2020. "Materials Data on LiCr(GeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1678620. https://www.osti.gov/servlets/purl/1678620. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678620,
title = {Materials Data on LiCr(GeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCrGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.16–2.44 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with two equivalent CrO6 octahedra. There are a spread of Cr–O bond distances ranging from 1.95–2.10 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with three equivalent CrO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–63°. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Cr3+, and one Ge4+ atom to form a mixture of distorted edge and corner-sharing OLiCr2Ge tetrahedra. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cr3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1678620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}