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Title: Materials Data on V2Bi4O11 by Materials Project

Abstract

Bi4V2O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. 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 1.68–1.83 Å. In the second V5+ site, V5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.88 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are three shorter (2.27 Å) and one longer (2.33 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–3.06 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.87 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.83 Å. There are eleven inequivalent O2- sites.more » In the first O2- site, O2- is bonded to four Bi3+ atoms to form edge-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form edge-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Bi3+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom.« less

Publication Date:
Other Number(s):
mp-1216992
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; V2Bi4O11; Bi-O-V
OSTI Identifier:
1676970
DOI:
https://doi.org/10.17188/1676970

Citation Formats

The Materials Project. Materials Data on V2Bi4O11 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676970.
The Materials Project. Materials Data on V2Bi4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1676970
The Materials Project. 2019. "Materials Data on V2Bi4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1676970. https://www.osti.gov/servlets/purl/1676970. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676970,
title = {Materials Data on V2Bi4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi4V2O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. 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 1.68–1.83 Å. In the second V5+ site, V5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.88 Å. There are four inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to four O2- atoms. There are three shorter (2.27 Å) and one longer (2.33 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–3.06 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.87 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.83 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form edge-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded to four Bi3+ atoms to form edge-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V5+ and one Bi3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Bi3+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Bi3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Bi3+ atom.},
doi = {10.17188/1676970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}