skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on V2Re2O11 by Materials Project

Abstract

V2Re2O11 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two V2Re2O11 sheets oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form distorted VO4 trigonal pyramids that share a cornercorner with one VO4 tetrahedra and corners with three ReO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three ReO5 trigonal bipyramids and a cornercorner with one VO4 trigonal pyramid. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. There are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share a cornercorner with one VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and corners with two equivalent VO4 trigonal pyramids. There are a spread of Re–O bond distances ranging from 1.74–2.17 Å. In the second Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share cornersmore » with two equivalent VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and a cornercorner with one VO4 trigonal pyramid. There are a spread of Re–O bond distances ranging from 1.71–2.17 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Re6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Re6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Re6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one Re6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-704848
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; V2Re2O11; O-Re-V
OSTI Identifier:
1285775
DOI:
10.17188/1285775

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V2Re2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285775.
Persson, Kristin, & Project, Materials. Materials Data on V2Re2O11 by Materials Project. United States. doi:10.17188/1285775.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V2Re2O11 by Materials Project". United States. doi:10.17188/1285775. https://www.osti.gov/servlets/purl/1285775. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285775,
title = {Materials Data on V2Re2O11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V2Re2O11 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two V2Re2O11 sheets oriented in the (0, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form distorted VO4 trigonal pyramids that share a cornercorner with one VO4 tetrahedra and corners with three ReO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three ReO5 trigonal bipyramids and a cornercorner with one VO4 trigonal pyramid. There are a spread of V–O bond distances ranging from 1.61–1.97 Å. There are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share a cornercorner with one VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and corners with two equivalent VO4 trigonal pyramids. There are a spread of Re–O bond distances ranging from 1.74–2.17 Å. In the second Re6+ site, Re6+ is bonded to five O2- atoms to form distorted ReO5 trigonal bipyramids that share corners with two equivalent VO4 tetrahedra, a cornercorner with one ReO5 trigonal bipyramid, and a cornercorner with one VO4 trigonal pyramid. There are a spread of Re–O bond distances ranging from 1.71–2.17 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Re6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Re6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Re6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Re6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two V5+ and one Re6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re6+ atom.},
doi = {10.17188/1285775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: