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Title: Materials Data on SmAsO4 by Materials Project

Abstract

SmAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.60 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As5+ atom.

Publication Date:
Other Number(s):
mp-754876
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; SmAsO4; As-O-Sm
OSTI Identifier:
1289614
DOI:
https://doi.org/10.17188/1289614

Citation Formats

The Materials Project. Materials Data on SmAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289614.
The Materials Project. Materials Data on SmAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1289614
The Materials Project. 2020. "Materials Data on SmAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1289614. https://www.osti.gov/servlets/purl/1289614. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289614,
title = {Materials Data on SmAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmAsO4 is Zircon-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.60 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. All As–O bond lengths are 1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one As5+ atom.},
doi = {10.17188/1289614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}