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Title: Materials Data on Sr2CuTeO6 by Materials Project

Abstract

Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.64 Å) and four longer (2.74 Å) Sr–O bond lengths. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are four shorter (2.00 Å) and two longer (2.42 Å) Cu–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There is two shorter (1.95 Å) and four longer (1.97 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing OSr4CuTe octahedra. The corner-sharing octahedra tilt angles range from 0–10°.

Publication Date:
Other Number(s):
mp-6252
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; Sr2CuTeO6; Cu-O-Sr-Te
OSTI Identifier:
1278332
DOI:
https://doi.org/10.17188/1278332

Citation Formats

The Materials Project. Materials Data on Sr2CuTeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278332.
The Materials Project. Materials Data on Sr2CuTeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1278332
The Materials Project. 2020. "Materials Data on Sr2CuTeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1278332. https://www.osti.gov/servlets/purl/1278332. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278332,
title = {Materials Data on Sr2CuTeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.64 Å) and four longer (2.74 Å) Sr–O bond lengths. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are four shorter (2.00 Å) and two longer (2.42 Å) Cu–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There is two shorter (1.95 Å) and four longer (1.97 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing OSr4CuTe octahedra. The corner-sharing octahedra tilt angles range from 0–10°.},
doi = {10.17188/1278332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}