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Title: Materials Data on V2FeAgO7 by Materials Project

Abstract

V2FeAgO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. 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 FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–59°. There are a spread of V–O bond distances ranging from 1.66–1.83 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–41°. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six VO4 tetrahedra and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.96–2.10 Å. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–3.01 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to onemore » V5+, two equivalent Fe3+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Fe3+, and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two V5+ and two equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Fe3+, and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Fe3+, and one Ag1+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ag1+ atom.« less

Publication Date:
Other Number(s):
mp-1191609
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; V2FeAgO7; Ag-Fe-O-V
OSTI Identifier:
1751459
DOI:
https://doi.org/10.17188/1751459

Citation Formats

The Materials Project. Materials Data on V2FeAgO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751459.
The Materials Project. Materials Data on V2FeAgO7 by Materials Project. United States. doi:https://doi.org/10.17188/1751459
The Materials Project. 2020. "Materials Data on V2FeAgO7 by Materials Project". United States. doi:https://doi.org/10.17188/1751459. https://www.osti.gov/servlets/purl/1751459. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751459,
title = {Materials Data on V2FeAgO7 by Materials Project},
author = {The Materials Project},
abstractNote = {V2FeAgO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. 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 FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–59°. There are a spread of V–O bond distances ranging from 1.66–1.83 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–41°. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six VO4 tetrahedra and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.96–2.10 Å. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–3.01 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Fe3+, and one Ag1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Fe3+, and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two V5+ and two equivalent Ag1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Fe3+, and one Ag1+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Fe3+, and one Ag1+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ag1+ atom.},
doi = {10.17188/1751459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}