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Title: Materials Data on SrV3O7 by Materials Project

Abstract

SrV3O7 crystallizes in the orthorhombic Pmmn 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 2.45–3.10 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.66 Å) and four longer (2.01 Å) V–O bond length. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three V4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Sr2+ and one V4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one V4+ atom.

Publication Date:
Other Number(s):
mp-510725
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; SrV3O7; O-Sr-V
OSTI Identifier:
1263068
DOI:
https://doi.org/10.17188/1263068

Citation Formats

The Materials Project. Materials Data on SrV3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263068.
The Materials Project. Materials Data on SrV3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1263068
The Materials Project. 2020. "Materials Data on SrV3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1263068. https://www.osti.gov/servlets/purl/1263068. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1263068,
title = {Materials Data on SrV3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {SrV3O7 crystallizes in the orthorhombic Pmmn 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 2.45–3.10 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.66 Å) and four longer (2.01 Å) V–O bond length. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three V4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Sr2+ and one V4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one V4+ atom.},
doi = {10.17188/1263068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}