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Title: Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project

Abstract

Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. There are a spread of Sr–Br bond distances ranging from 3.11–3.21 Å. Cu2+ is bonded in a 6-coordinate geometry to five O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. The Cu–Br bond length is 3.02 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, two equivalent Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Cu2+, and one Te6+ atom to form distorted corner-sharing OSrCu2Te trigonal pyramids. Br1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Cu2+ atom.

Publication Date:
Other Number(s):
mp-555814
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; Sr2Cu2Te(BrO3)2; Br-Cu-O-Sr-Te
OSTI Identifier:
1269002
DOI:
10.17188/1269002

Citation Formats

The Materials Project. Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269002.
The Materials Project. Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project. United States. doi:10.17188/1269002.
The Materials Project. 2020. "Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project". United States. doi:10.17188/1269002. https://www.osti.gov/servlets/purl/1269002. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269002,
title = {Materials Data on Sr2Cu2Te(BrO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Cu2Te(O3Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Br1- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. There are a spread of Sr–Br bond distances ranging from 3.11–3.21 Å. Cu2+ is bonded in a 6-coordinate geometry to five O2- and one Br1- atom. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. The Cu–Br bond length is 3.02 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.95–1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, two equivalent Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Cu2+, and one Te6+ atom to form distorted corner-sharing OSrCu2Te trigonal pyramids. Br1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Cu2+ atom.},
doi = {10.17188/1269002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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