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Title: Materials Data on Tb2CoTe2(SO7)2 by Materials Project

Abstract

Tb2CoTe2(SO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.57 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are two shorter (2.05 Å) and four longer (2.13 Å) Co–O bond lengths. Te6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Tb4+ and one S2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb4+ and one S2+ atom. In the fourthmore » O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb4+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb4+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tb4+, one Co4+, and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tb4+, one Co4+, and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1190385
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; Tb2CoTe2(SO7)2; Co-O-S-Tb-Te
OSTI Identifier:
1740102
DOI:
https://doi.org/10.17188/1740102

Citation Formats

The Materials Project. Materials Data on Tb2CoTe2(SO7)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740102.
The Materials Project. Materials Data on Tb2CoTe2(SO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740102
The Materials Project. 2020. "Materials Data on Tb2CoTe2(SO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740102. https://www.osti.gov/servlets/purl/1740102. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740102,
title = {Materials Data on Tb2CoTe2(SO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2CoTe2(SO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.57 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are two shorter (2.05 Å) and four longer (2.13 Å) Co–O bond lengths. Te6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Tb4+ and one S2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb4+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb4+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb4+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tb4+, one Co4+, and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tb4+, one Co4+, and one Te6+ atom.},
doi = {10.17188/1740102},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}