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Title: Materials Data on Sr3V3BiO12 by Materials Project

Abstract

Sr3V3BiO12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–3.04 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–3.18 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.78 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.79 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.41–2.48 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometrymore » to three Sr2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Sr2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Sr2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+, one V5+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one V5+ atom.« less

Publication Date:
Other Number(s):
mp-1218701
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; Sr3V3BiO12; Bi-O-Sr-V
OSTI Identifier:
1722467
DOI:
https://doi.org/10.17188/1722467

Citation Formats

The Materials Project. Materials Data on Sr3V3BiO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722467.
The Materials Project. Materials Data on Sr3V3BiO12 by Materials Project. United States. doi:https://doi.org/10.17188/1722467
The Materials Project. 2020. "Materials Data on Sr3V3BiO12 by Materials Project". United States. doi:https://doi.org/10.17188/1722467. https://www.osti.gov/servlets/purl/1722467. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1722467,
title = {Materials Data on Sr3V3BiO12 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3V3BiO12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–3.04 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.36–3.18 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.70–1.78 Å. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.79 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.41–2.48 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Sr2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one Sr2+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sr2+, one V5+, and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Sr2+, one V5+, and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one V5+ atom.},
doi = {10.17188/1722467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}