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Title: Materials Data on SrSmAl3O7 by Materials Project

Abstract

SrSmAl3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.94 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.91 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.79 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.79 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Al3+ atoms to form amore » mixture of distorted corner and edge-sharing OSm2Al2 tetrahedra. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Sm3+, and one Al3+ atom to form a mixture of distorted corner and edge-sharing OSrSm2Al tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Sm3+, and one Al3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sm3+, and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sm3+, and two Al3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1218016
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; SrSmAl3O7; Al-O-Sm-Sr
OSTI Identifier:
1652712
DOI:
https://doi.org/10.17188/1652712

Citation Formats

The Materials Project. Materials Data on SrSmAl3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652712.
The Materials Project. Materials Data on SrSmAl3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1652712
The Materials Project. 2020. "Materials Data on SrSmAl3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1652712. https://www.osti.gov/servlets/purl/1652712. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1652712,
title = {Materials Data on SrSmAl3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSmAl3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.94 Å. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.91 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is two shorter (1.77 Å) and two longer (1.79 Å) Al–O bond length. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.78 Å. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.79 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing OSm2Al2 tetrahedra. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Sm3+, and one Al3+ atom to form a mixture of distorted corner and edge-sharing OSrSm2Al tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Sm3+, and one Al3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sm3+, and two Al3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Sm3+, and two Al3+ atoms.},
doi = {10.17188/1652712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}