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Title: Materials Data on Sr11(ReO6)4 by Materials Project

Abstract

Sr11Re4O24 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.96 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.74 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 2.51–2.99 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.97 Å. There are two inequivalent Re+6.50+ sites. In the first Re+6.50+ site, Re+6.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.91–1.99 Å. In the second Re+6.50+ site, Re+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.91 Å) and two longer (1.92 Å) Re–O bond length. There are six inequivalentmore » O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re+6.50+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re+6.50+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re+6.50+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re+6.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Re+6.50+ atom.« less

Publication Date:
Other Number(s):
mp-29908
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; Sr11(ReO6)4; O-Re-Sr
OSTI Identifier:
1204337
DOI:
https://doi.org/10.17188/1204337

Citation Formats

The Materials Project. Materials Data on Sr11(ReO6)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204337.
The Materials Project. Materials Data on Sr11(ReO6)4 by Materials Project. United States. doi:https://doi.org/10.17188/1204337
The Materials Project. 2020. "Materials Data on Sr11(ReO6)4 by Materials Project". United States. doi:https://doi.org/10.17188/1204337. https://www.osti.gov/servlets/purl/1204337. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204337,
title = {Materials Data on Sr11(ReO6)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr11Re4O24 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.96 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.74 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 2.51–2.99 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.97 Å. There are two inequivalent Re+6.50+ sites. In the first Re+6.50+ site, Re+6.50+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.91–1.99 Å. In the second Re+6.50+ site, Re+6.50+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.91 Å) and two longer (1.92 Å) Re–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re+6.50+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Re+6.50+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re+6.50+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re+6.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Re+6.50+ atom.},
doi = {10.17188/1204337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}