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Title: Materials Data on VFeMoO7 by Materials Project

Abstract

FeVMoO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one MoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–57°. There are a spread of V–O bond distances ranging from 1.69–1.83 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–30°. There are a spread of Mo–O bond distances ranging from 1.73–1.89 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent MoO4 tetrahedra, corners with four equivalent VO4 tetrahedra, and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.99–2.10 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Fe3+ atom. In the third O2- site, O2- is bonded inmore » a bent 150 degrees geometry to one Mo6+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Fe3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Fe3+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Mo6+ atom.« less

Publication Date:
Other Number(s):
mp-19180
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; VFeMoO7; Fe-Mo-O-V
OSTI Identifier:
1194005
DOI:
https://doi.org/10.17188/1194005

Citation Formats

The Materials Project. Materials Data on VFeMoO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194005.
The Materials Project. Materials Data on VFeMoO7 by Materials Project. United States. doi:https://doi.org/10.17188/1194005
The Materials Project. 2020. "Materials Data on VFeMoO7 by Materials Project". United States. doi:https://doi.org/10.17188/1194005. https://www.osti.gov/servlets/purl/1194005. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1194005,
title = {Materials Data on VFeMoO7 by Materials Project},
author = {The Materials Project},
abstractNote = {FeVMoO7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent FeO6 octahedra and a cornercorner with one MoO4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–57°. There are a spread of V–O bond distances ranging from 1.69–1.83 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent FeO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–30°. There are a spread of Mo–O bond distances ranging from 1.73–1.89 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent MoO4 tetrahedra, corners with four equivalent VO4 tetrahedra, and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.99–2.10 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Fe3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Fe3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Fe3+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Fe3+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Mo6+ atom.},
doi = {10.17188/1194005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}