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Title: Materials Data on Cs2Li2GeO4 by Materials Project

Abstract

Cs2Li2GeO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.95–3.57 Å. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.41 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra, corners with three equivalent LiO4 trigonal pyramids, an edgeedge with one GeO4 tetrahedra, and edges with two LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.93–2.21 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra, corners with three equivalent LiO4 trigonal pyramids, an edgeedge with one GeO4 tetrahedra, and edges with two LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 2.00–2.07 Å. Ge4+ is bonded tomore » four O2- atoms to form GeO4 tetrahedra that share corners with four LiO4 trigonal pyramids and edges with two LiO4 trigonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Cs1+, two Li1+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+, three Li1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, three Li1+, and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-8313
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; Cs2Li2GeO4; Cs-Ge-Li-O
OSTI Identifier:
1308031
DOI:
https://doi.org/10.17188/1308031

Citation Formats

The Materials Project. Materials Data on Cs2Li2GeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308031.
The Materials Project. Materials Data on Cs2Li2GeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1308031
The Materials Project. 2020. "Materials Data on Cs2Li2GeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1308031. https://www.osti.gov/servlets/purl/1308031. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1308031,
title = {Materials Data on Cs2Li2GeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Li2GeO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 2.95–3.57 Å. In the second Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.41 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra, corners with three equivalent LiO4 trigonal pyramids, an edgeedge with one GeO4 tetrahedra, and edges with two LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.93–2.21 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent GeO4 tetrahedra, corners with three equivalent LiO4 trigonal pyramids, an edgeedge with one GeO4 tetrahedra, and edges with two LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 2.00–2.07 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four LiO4 trigonal pyramids and edges with two LiO4 trigonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Cs1+, two Li1+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+, three Li1+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, three Li1+, and one Ge4+ atom.},
doi = {10.17188/1308031},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}