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Title: Materials Data on Co2TeSO8 by Materials Project

Abstract

Co2TeSO8 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent SO4 tetrahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Co–O bond distances ranging from 1.83–2.20 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.92 Å) Te–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In themore » fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms.« less

Publication Date:
Other Number(s):
mp-1195741
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; Co2TeSO8; Co-O-S-Te
OSTI Identifier:
1757890
DOI:
https://doi.org/10.17188/1757890

Citation Formats

The Materials Project. Materials Data on Co2TeSO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757890.
The Materials Project. Materials Data on Co2TeSO8 by Materials Project. United States. doi:https://doi.org/10.17188/1757890
The Materials Project. 2020. "Materials Data on Co2TeSO8 by Materials Project". United States. doi:https://doi.org/10.17188/1757890. https://www.osti.gov/servlets/purl/1757890. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757890,
title = {Materials Data on Co2TeSO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2TeSO8 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent SO4 tetrahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Co–O bond distances ranging from 1.83–2.20 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.92 Å) Te–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms.},
doi = {10.17188/1757890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}