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Title: Materials Data on Sm2Cr2O5 by Materials Project

Abstract

Sm2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.22–2.49 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to four O2- atoms to form distorted CrO4 trigonal pyramids that share corners with two equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Cr–O bond distances ranging from 2.08–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two Cr2+ atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the third O2-more » site, O2- is bonded to two equivalent Sm3+ and two equivalent Cr2+ atoms to form corner-sharing OSm2Cr2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1099951
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; Sm2Cr2O5; Cr-O-Sm
OSTI Identifier:
1475766
DOI:
10.17188/1475766

Citation Formats

The Materials Project. Materials Data on Sm2Cr2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1475766.
The Materials Project. Materials Data on Sm2Cr2O5 by Materials Project. United States. doi:10.17188/1475766.
The Materials Project. 2020. "Materials Data on Sm2Cr2O5 by Materials Project". United States. doi:10.17188/1475766. https://www.osti.gov/servlets/purl/1475766. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1475766,
title = {Materials Data on Sm2Cr2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Cr2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sm–O bond distances ranging from 2.22–2.49 Å. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 27°. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded to four O2- atoms to form distorted CrO4 trigonal pyramids that share corners with two equivalent CrO6 octahedra and corners with two equivalent CrO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Cr–O bond distances ranging from 2.08–2.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Cr2+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two Cr2+ atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Cr2+ atoms to form corner-sharing OSm2Cr2 tetrahedra.},
doi = {10.17188/1475766},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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