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Title: Materials Data on LiVGeO5 by Materials Project

Abstract

LiVGeO5 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent GeO4 tetrahedra, corners with two equivalent VO5 trigonal bipyramids, and edges with two equivalent VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are four shorter (2.05 Å) and two longer (2.59 Å) Li–O bond lengths. V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent LiO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There is one shorter (1.63 Å) and four longer (1.91 Å) V–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LiO6 octahedra and corners with four equivalent VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V5+, and one Ge4+ atom.more » In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-763317
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiVGeO5; Ge-Li-O-V
OSTI Identifier:
1293401
DOI:
https://doi.org/10.17188/1293401

Citation Formats

The Materials Project. Materials Data on LiVGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293401.
The Materials Project. Materials Data on LiVGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1293401
The Materials Project. 2020. "Materials Data on LiVGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1293401. https://www.osti.gov/servlets/purl/1293401. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1293401,
title = {Materials Data on LiVGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVGeO5 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent GeO4 tetrahedra, corners with two equivalent VO5 trigonal bipyramids, and edges with two equivalent VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are four shorter (2.05 Å) and two longer (2.59 Å) Li–O bond lengths. V5+ is bonded to five O2- atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent LiO6 octahedra, corners with four equivalent GeO4 tetrahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There is one shorter (1.63 Å) and four longer (1.91 Å) V–O bond length. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LiO6 octahedra and corners with four equivalent VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. All Ge–O bond lengths are 1.77 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V5+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one V5+ atom.},
doi = {10.17188/1293401},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}