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Title: Materials Data on VMoO5 by Materials Project

Abstract

VMoO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VMoO5 sheet oriented in the (1, 0, 2) direction. there are five inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.04 Å. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.00 Å. In the third V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.05 Å. In the fourth V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.06 Å. In the fifth V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.05 Å. There are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bondmore » distances ranging from 1.71–2.08 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.06 Å. In the third Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.03 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.02 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.06 Å. There are twenty-five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the tenth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the fifteenth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventeenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the twentieth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the twenty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the twenty-fourth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the twenty-fifth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.« less

Publication Date:
Other Number(s):
mp-1100928
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; VMoO5; Mo-O-V
OSTI Identifier:
1664221
DOI:
https://doi.org/10.17188/1664221

Citation Formats

The Materials Project. Materials Data on VMoO5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1664221.
The Materials Project. Materials Data on VMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1664221
The Materials Project. 2018. "Materials Data on VMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1664221. https://www.osti.gov/servlets/purl/1664221. Pub date:Fri Jul 13 00:00:00 EDT 2018
@article{osti_1664221,
title = {Materials Data on VMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {VMoO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VMoO5 sheet oriented in the (1, 0, 2) direction. there are five inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.04 Å. In the second V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.00 Å. In the third V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.05 Å. In the fourth V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.06 Å. In the fifth V4+ site, V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.05 Å. There are five inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.08 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.06 Å. In the third Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.03 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.02 Å. In the fifth Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.06 Å. There are twenty-five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the tenth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the fifteenth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the seventeenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two V4+ and one Mo6+ atom. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the twentieth O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the twenty-second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two Mo6+ atoms. In the twenty-fourth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the twenty-fifth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.},
doi = {10.17188/1664221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}