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Title: Materials Data on RbV2SbO8 by Materials Project

Abstract

RbV2SbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.33 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. All Sb–O bond lengths are 2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+,more » one V5+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-622258
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; RbV2SbO8; O-Rb-Sb-V
OSTI Identifier:
1278116
DOI:
10.17188/1278116

Citation Formats

The Materials Project. Materials Data on RbV2SbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278116.
The Materials Project. Materials Data on RbV2SbO8 by Materials Project. United States. doi:10.17188/1278116.
The Materials Project. 2020. "Materials Data on RbV2SbO8 by Materials Project". United States. doi:10.17188/1278116. https://www.osti.gov/servlets/purl/1278116. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278116,
title = {Materials Data on RbV2SbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {RbV2SbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.33 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. All Sb–O bond lengths are 2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one V5+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom.},
doi = {10.17188/1278116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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