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Title: Materials Data on Sr5Re3ClO15 by Materials Project

Abstract

Sr5(ReO5)3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to nine O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.64–3.08 Å. The Sr–Cl bond length is 3.08 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.62–3.11 Å. The Sr–Cl bond length is 3.09 Å. In the third 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 2.54–2.75 Å. There are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.77–1.86 Å. In the second Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2-more » is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and one Re7+ atom to form a mixture of distorted edge and corner-sharing OSr3Re tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Re7+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms.« less

Publication Date:
Other Number(s):
mp-667283
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; Sr5Re3ClO15; Cl-O-Re-Sr
OSTI Identifier:
1281485
DOI:
10.17188/1281485

Citation Formats

The Materials Project. Materials Data on Sr5Re3ClO15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281485.
The Materials Project. Materials Data on Sr5Re3ClO15 by Materials Project. United States. doi:10.17188/1281485.
The Materials Project. 2020. "Materials Data on Sr5Re3ClO15 by Materials Project". United States. doi:10.17188/1281485. https://www.osti.gov/servlets/purl/1281485. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281485,
title = {Materials Data on Sr5Re3ClO15 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5(ReO5)3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to nine O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.64–3.08 Å. The Sr–Cl bond length is 3.08 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.62–3.11 Å. The Sr–Cl bond length is 3.09 Å. In the third 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 2.54–2.75 Å. There are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.77–1.86 Å. In the second Re7+ site, Re7+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Re–O bond distances ranging from 1.75–1.87 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded to three Sr2+ and one Re7+ atom to form a mixture of distorted edge and corner-sharing OSr3Re tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re7+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one Re7+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Sr2+ atoms.},
doi = {10.17188/1281485},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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