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Title: Materials Data on Sm2ReO5 by Materials Project

Abstract

Sm2ReO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.67 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. In the second Re4+ site, Re4+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Re4+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Re4+ atom. In the third O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve equivalent OSm3Re tetrahedra and edges with two equivalent OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalentmore » OSm3Re tetrahedra and edges with six OSm4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-17741
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; Sm2ReO5; O-Re-Sm
OSTI Identifier:
1192666
DOI:
https://doi.org/10.17188/1192666

Citation Formats

The Materials Project. Materials Data on Sm2ReO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192666.
The Materials Project. Materials Data on Sm2ReO5 by Materials Project. United States. doi:https://doi.org/10.17188/1192666
The Materials Project. 2020. "Materials Data on Sm2ReO5 by Materials Project". United States. doi:https://doi.org/10.17188/1192666. https://www.osti.gov/servlets/purl/1192666. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1192666,
title = {Materials Data on Sm2ReO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2ReO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.67 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. In the second Re4+ site, Re4+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Re4+ atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and one Re4+ atom. In the third O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve equivalent OSm3Re tetrahedra and edges with two equivalent OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalent OSm3Re tetrahedra and edges with six OSm4 tetrahedra.},
doi = {10.17188/1192666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}