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Title: Materials Data on SrCu(TeO3)2 by Materials Project

Abstract

SrCu(TeO3)2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.13 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.54 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.94 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded to two Sr2+, one Cu2+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing OSr2CuTe tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-557970
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; SrCu(TeO3)2; Cu-O-Sr-Te
OSTI Identifier:
1270104
DOI:
10.17188/1270104

Citation Formats

The Materials Project. Materials Data on SrCu(TeO3)2 by Materials Project. United States: N. p., 2015. Web. doi:10.17188/1270104.
The Materials Project. Materials Data on SrCu(TeO3)2 by Materials Project. United States. doi:10.17188/1270104.
The Materials Project. 2015. "Materials Data on SrCu(TeO3)2 by Materials Project". United States. doi:10.17188/1270104. https://www.osti.gov/servlets/purl/1270104. Pub date:Fri Jan 30 00:00:00 EST 2015
@article{osti_1270104,
title = {Materials Data on SrCu(TeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCu(TeO3)2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.13 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.54 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.94 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded to two Sr2+, one Cu2+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing OSr2CuTe tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and one Te4+ atom.},
doi = {10.17188/1270104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {1}
}

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