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Title: Materials Data on Sm(ReO5)3 by Materials Project

Abstract

Sm(ReO5)3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.54 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. There are fifteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the second O site, O is bonded in a distorted linear geometry to one Sm and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Sm atom. In the fourth O site, O is bondedmore » in a single-bond geometry to one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Re atom. In the seventh O site, O is bonded in a single-bond geometry to one Re atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a single-bond geometry to one Re atom. In the tenth O site, O is bonded in a single-bond geometry to one Re atom. In the eleventh O site, O is bonded in a single-bond geometry to one Re atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Sm atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Sm atom. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219465
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm(ReO5)3; O-Re-Sm
OSTI Identifier:
1714974
DOI:
https://doi.org/10.17188/1714974

Citation Formats

The Materials Project. Materials Data on Sm(ReO5)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1714974.
The Materials Project. Materials Data on Sm(ReO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1714974
The Materials Project. 2020. "Materials Data on Sm(ReO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1714974. https://www.osti.gov/servlets/purl/1714974. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1714974,
title = {Materials Data on Sm(ReO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm(ReO5)3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.54 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a tetrahedral geometry to four O atoms. There are a spread of Re–O bond distances ranging from 1.73–1.79 Å. In the second Re site, Re is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. In the third Re site, Re is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.73 Å) and two longer (1.78 Å) Re–O bond length. There are fifteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the second O site, O is bonded in a distorted linear geometry to one Sm and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Sm atom. In the fourth O site, O is bonded in a single-bond geometry to one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Re atom. In the seventh O site, O is bonded in a single-bond geometry to one Re atom. In the eighth O site, O is bonded in a single-bond geometry to one Re atom. In the ninth O site, O is bonded in a single-bond geometry to one Re atom. In the tenth O site, O is bonded in a single-bond geometry to one Re atom. In the eleventh O site, O is bonded in a single-bond geometry to one Re atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Sm atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Sm atom. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Re atom.},
doi = {10.17188/1714974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}