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Title: Materials Data on V6AgO15 by Materials Project

Abstract

AgV6O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent V+4.83+ sites. In the first V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the second V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.82 Å. In the third V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.84 Å. In the fourth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.94 Å. In the fifth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. In the sixth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4more » tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.88 Å. Ag1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.55 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.83+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V+4.83+ atoms. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+4.83+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.83+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.83+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.83+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.83+ and one Ag1+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the eleventh O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+4.83+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.83+ atoms. In the thirteenth O2- site, O2- is bonded in a water-like geometry to two V+4.83+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.83+ and one Ag1+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom.« less

Publication Date:
Other Number(s):
mp-1101006
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; V6AgO15; Ag-O-V
OSTI Identifier:
1686523
DOI:
https://doi.org/10.17188/1686523

Citation Formats

The Materials Project. Materials Data on V6AgO15 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1686523.
The Materials Project. Materials Data on V6AgO15 by Materials Project. United States. doi:https://doi.org/10.17188/1686523
The Materials Project. 2018. "Materials Data on V6AgO15 by Materials Project". United States. doi:https://doi.org/10.17188/1686523. https://www.osti.gov/servlets/purl/1686523. Pub date:Sun Jul 15 00:00:00 EDT 2018
@article{osti_1686523,
title = {Materials Data on V6AgO15 by Materials Project},
author = {The Materials Project},
abstractNote = {AgV6O15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent V+4.83+ sites. In the first V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the second V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.82 Å. In the third V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.84 Å. In the fourth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.94 Å. In the fifth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. In the sixth V+4.83+ site, V+4.83+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–1.88 Å. Ag1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.16–2.55 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.83+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V+4.83+ atoms. In the fourth O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+4.83+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.83+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.83+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.83+ and one Ag1+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.83+ and one Ag1+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the eleventh O2- site, O2- is bonded in an L-shaped geometry to two equivalent V+4.83+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+4.83+ atoms. In the thirteenth O2- site, O2- is bonded in a water-like geometry to two V+4.83+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.83+ and one Ag1+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom.},
doi = {10.17188/1686523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}