skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr5(ReO6)2 by Materials Project

Abstract

Sr5Re2O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first 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 2.53–2.85 Å. 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 2.53–2.73 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 2.53–2.78 Å. In the fourth Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share edges with three equivalent ReO6 octahedra. All Sr–O bond lengths are 2.46 Å. There are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.91 Å. In the second Re7+ site, Re7+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.87 Å) and three longer (1.95 Å) Re–O bond length. In the third Re7+more » site, Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Re–O bond distances ranging from 1.85–1.98 Å. There are six inequivalent O2- sites. In the first 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 second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. 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 4-coordinate geometry to three Sr2+ and one Re7+ atom.« less

Publication Date:
Other Number(s):
mp-555428
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; Sr5(ReO6)2; O-Re-Sr
OSTI Identifier:
1268799
DOI:
10.17188/1268799

Citation Formats

The Materials Project. Materials Data on Sr5(ReO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268799.
The Materials Project. Materials Data on Sr5(ReO6)2 by Materials Project. United States. doi:10.17188/1268799.
The Materials Project. 2020. "Materials Data on Sr5(ReO6)2 by Materials Project". United States. doi:10.17188/1268799. https://www.osti.gov/servlets/purl/1268799. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268799,
title = {Materials Data on Sr5(ReO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5Re2O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first 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 2.53–2.85 Å. 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 2.53–2.73 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 2.53–2.78 Å. In the fourth Sr2+ site, Sr2+ is bonded to six equivalent O2- atoms to form distorted SrO6 pentagonal pyramids that share edges with three equivalent ReO6 octahedra. All Sr–O bond lengths are 2.46 Å. There are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.91 Å. In the second Re7+ site, Re7+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.87 Å) and three longer (1.95 Å) Re–O bond length. In the third Re7+ site, Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Re–O bond distances ranging from 1.85–1.98 Å. There are six inequivalent O2- sites. In the first 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 second O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Re7+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Re7+ atom. 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 4-coordinate geometry to three Sr2+ and one Re7+ atom.},
doi = {10.17188/1268799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: