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Title: Materials Data on SrSm2O4 by Materials Project

Abstract

SrSm2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.13 Å. Sm3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of Sm–O bond distances ranging from 2.29–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Sm3+ atoms to form distorted OSr2Sm4 octahedra that share corners with two equivalent OSr2Sm4 octahedra, corners with eight equivalent OSr2Sm3 trigonal bipyramids, edges with two equivalent OSr2Sm4 octahedra, edges with four equivalent OSr2Sm2 tetrahedra, and edges with six equivalent OSr2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Sm3+ atoms to form OSr2Sm2 tetrahedra that share corners with two equivalent OSr2Sm2 tetrahedra, corners with ten equivalent OSr2Sm3 trigonal bipyramids, edges with four equivalent OSr2Sm4 octahedra, and edges with two equivalent OSr2Sm3 trigonal bipyramids. In the third O2- site, O2- is bondedmore » to two equivalent Sr2+ and three equivalent Sm3+ atoms to form distorted OSr2Sm3 trigonal bipyramids that share corners with four equivalent OSr2Sm4 octahedra, corners with five equivalent OSr2Sm2 tetrahedra, corners with two equivalent OSr2Sm3 trigonal bipyramids, edges with three equivalent OSr2Sm4 octahedra, an edgeedge with one OSr2Sm2 tetrahedra, and edges with five equivalent OSr2Sm3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 10–42°.« less

Publication Date:
Other Number(s):
mp-755420
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; SrSm2O4; O-Sm-Sr
OSTI Identifier:
1289985
DOI:
10.17188/1289985

Citation Formats

The Materials Project. Materials Data on SrSm2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289985.
The Materials Project. Materials Data on SrSm2O4 by Materials Project. United States. doi:10.17188/1289985.
The Materials Project. 2020. "Materials Data on SrSm2O4 by Materials Project". United States. doi:10.17188/1289985. https://www.osti.gov/servlets/purl/1289985. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1289985,
title = {Materials Data on SrSm2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSm2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–3.13 Å. Sm3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SmO6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of Sm–O bond distances ranging from 2.29–2.46 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Sm3+ atoms to form distorted OSr2Sm4 octahedra that share corners with two equivalent OSr2Sm4 octahedra, corners with eight equivalent OSr2Sm3 trigonal bipyramids, edges with two equivalent OSr2Sm4 octahedra, edges with four equivalent OSr2Sm2 tetrahedra, and edges with six equivalent OSr2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Sm3+ atoms to form OSr2Sm2 tetrahedra that share corners with two equivalent OSr2Sm2 tetrahedra, corners with ten equivalent OSr2Sm3 trigonal bipyramids, edges with four equivalent OSr2Sm4 octahedra, and edges with two equivalent OSr2Sm3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Sm3+ atoms to form distorted OSr2Sm3 trigonal bipyramids that share corners with four equivalent OSr2Sm4 octahedra, corners with five equivalent OSr2Sm2 tetrahedra, corners with two equivalent OSr2Sm3 trigonal bipyramids, edges with three equivalent OSr2Sm4 octahedra, an edgeedge with one OSr2Sm2 tetrahedra, and edges with five equivalent OSr2Sm3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 10–42°.},
doi = {10.17188/1289985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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