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Title: Materials Data on SmVO3 by Materials Project

Abstract

SmVO3 is Orthorhombic Perovskite 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 2.33–2.74 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of V–O bond distances ranging from 2.01–2.11 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of V–O bond distances ranging from 2.02–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two V3+ atoms to form distorted corner-sharing OSm2V2 tetrahedra.

Publication Date:
Other Number(s):
mp-1188225
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; SmVO3; O-Sm-V
OSTI Identifier:
1655892
DOI:
https://doi.org/10.17188/1655892

Citation Formats

The Materials Project. Materials Data on SmVO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655892.
The Materials Project. Materials Data on SmVO3 by Materials Project. United States. doi:https://doi.org/10.17188/1655892
The Materials Project. 2020. "Materials Data on SmVO3 by Materials Project". United States. doi:https://doi.org/10.17188/1655892. https://www.osti.gov/servlets/purl/1655892. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1655892,
title = {Materials Data on SmVO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmVO3 is Orthorhombic Perovskite 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 2.33–2.74 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of V–O bond distances ranging from 2.01–2.11 Å. In the second V3+ site, V3+ is bonded to six O2- atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 33–35°. There are a spread of V–O bond distances ranging from 2.02–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+ and two equivalent V3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sm3+ and two V3+ atoms to form distorted corner-sharing OSm2V2 tetrahedra.},
doi = {10.17188/1655892},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}