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Title: Materials Data on SrSmScO4 by Materials Project

Abstract

SrSmScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–2.94 Å. Sm3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.24–2.99 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Sc–O bond distances ranging from 2.03–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and one Sc3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and one Sc3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and two equivalent Sc3+ atoms.

Publication Date:
Other Number(s):
mp-1217782
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; SrSmScO4; O-Sc-Sm-Sr
OSTI Identifier:
1752811
DOI:
https://doi.org/10.17188/1752811

Citation Formats

The Materials Project. Materials Data on SrSmScO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752811.
The Materials Project. Materials Data on SrSmScO4 by Materials Project. United States. doi:https://doi.org/10.17188/1752811
The Materials Project. 2020. "Materials Data on SrSmScO4 by Materials Project". United States. doi:https://doi.org/10.17188/1752811. https://www.osti.gov/servlets/purl/1752811. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752811,
title = {Materials Data on SrSmScO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrSmScO4 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–2.94 Å. Sm3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.24–2.99 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Sc–O bond distances ranging from 2.03–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and one Sc3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and one Sc3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Sm3+, and two equivalent Sc3+ atoms.},
doi = {10.17188/1752811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}