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Title: Materials Data on Li2Ge3O8 by Materials Project

Abstract

Li2Ge3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four equivalent GeO4 tetrahedra, edges with three LiO6 octahedra, and edges with three equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.18 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent GeO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five LiO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with four equivalent GeO4more » tetrahedra and edges with five LiO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–1.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li and two Ge atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Li and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to one Li and two equivalent Ge atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to two equivalent Li and two Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193805
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; Li2Ge3O8; Ge-Li-O
OSTI Identifier:
1758484
DOI:
https://doi.org/10.17188/1758484

Citation Formats

The Materials Project. Materials Data on Li2Ge3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758484.
The Materials Project. Materials Data on Li2Ge3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1758484
The Materials Project. 2020. "Materials Data on Li2Ge3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1758484. https://www.osti.gov/servlets/purl/1758484. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758484,
title = {Materials Data on Li2Ge3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ge3O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with four equivalent GeO4 tetrahedra, edges with three LiO6 octahedra, and edges with three equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.08–2.18 Å. In the second Li site, Li is bonded to six O atoms to form LiO6 octahedra that share corners with six equivalent GeO4 tetrahedra, an edgeedge with one LiO6 octahedra, and edges with two equivalent GeO6 octahedra. There are a spread of Li–O bond distances ranging from 2.11–2.19 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form GeO4 tetrahedra that share corners with two equivalent GeO6 octahedra, corners with five LiO6 octahedra, and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Ge–O bond distances ranging from 1.75–1.81 Å. In the second Ge site, Ge is bonded to six O atoms to form GeO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with five LiO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.86–1.97 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Li and two Ge atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Li and one Ge atom. In the third O site, O is bonded in a trigonal planar geometry to one Li and two equivalent Ge atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to two equivalent Li and two Ge atoms.},
doi = {10.17188/1758484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}