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Title: Materials Data on Cs2Ge(TeO4)3 by Materials Project

Abstract

Cs2Ge(TeO4)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with three equivalent GeO6 octahedra and corners with nine equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–71°. There are three shorter (3.09 Å) and three longer (3.10 Å) Cs–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent CsO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–66°. All Ge–O bond lengths are 1.93 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent GeO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 43–71°. There is two shorter (1.91 Å) and four longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Ge4+,more » and one Te6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1226191
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; Cs2Ge(TeO4)3; Cs-Ge-O-Te
OSTI Identifier:
1654948
DOI:
https://doi.org/10.17188/1654948

Citation Formats

The Materials Project. Materials Data on Cs2Ge(TeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654948.
The Materials Project. Materials Data on Cs2Ge(TeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1654948
The Materials Project. 2020. "Materials Data on Cs2Ge(TeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1654948. https://www.osti.gov/servlets/purl/1654948. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1654948,
title = {Materials Data on Cs2Ge(TeO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Ge(TeO4)3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with three equivalent GeO6 octahedra and corners with nine equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–71°. There are three shorter (3.09 Å) and three longer (3.10 Å) Cs–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent CsO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–66°. All Ge–O bond lengths are 1.93 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent GeO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 43–71°. There is two shorter (1.91 Å) and four longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one Ge4+, and one Te6+ atom.},
doi = {10.17188/1654948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}