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Title: Materials Data on SmTaO4 by Materials Project

Abstract

SmTaO4 crystallizes in the monoclinic P2/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 2.36–2.59 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-12931
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; SmTaO4; O-Sm-Ta
OSTI Identifier:
1189274
DOI:
https://doi.org/10.17188/1189274

Citation Formats

The Materials Project. Materials Data on SmTaO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189274.
The Materials Project. Materials Data on SmTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1189274
The Materials Project. 2020. "Materials Data on SmTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1189274. https://www.osti.gov/servlets/purl/1189274. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189274,
title = {Materials Data on SmTaO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmTaO4 crystallizes in the monoclinic P2/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 2.36–2.59 Å. Ta5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ta–O bond distances ranging from 1.89–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1189274},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}