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Title: Materials Data on Cs2TeSO10 by Materials Project

Abstract

Cs2TeSO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.51 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.66 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.93 Å) and two longer (1.94 Å) Te–O bond length. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.94 Å. S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the second O site, O is bonded in amore » distorted single-bond geometry to two equivalent Cs and one Te atom. In the third O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the ninth O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the tenth O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom.« less

Publication Date:
Other Number(s):
mp-1213764
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; Cs2TeSO10; Cs-O-S-Te
OSTI Identifier:
1665637
DOI:
https://doi.org/10.17188/1665637

Citation Formats

The Materials Project. Materials Data on Cs2TeSO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665637.
The Materials Project. Materials Data on Cs2TeSO10 by Materials Project. United States. doi:https://doi.org/10.17188/1665637
The Materials Project. 2020. "Materials Data on Cs2TeSO10 by Materials Project". United States. doi:https://doi.org/10.17188/1665637. https://www.osti.gov/servlets/purl/1665637. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1665637,
title = {Materials Data on Cs2TeSO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2TeSO10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.51 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.66 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in an octahedral geometry to six O atoms. There is four shorter (1.93 Å) and two longer (1.94 Å) Te–O bond length. In the second Te site, Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.94 Å. S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.50 Å) S–O bond length. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the third O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one S atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Te atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the seventh O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two Cs and one Te atom. In the ninth O site, O is bonded in a single-bond geometry to two Cs and one S atom. In the tenth O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom.},
doi = {10.17188/1665637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}