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Title: Materials Data on LiV9O22 by Materials Project

Abstract

LiV9O22 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form edge-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 2.01–2.39 Å. There are nine inequivalent V+4.78+ sites. In the first V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.31 Å. In the third V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.42 Å. In the fourth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.40 Å. In the fifth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.37 Å. In the sixth V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. Theremore » are a spread of V–O bond distances ranging from 1.59–2.04 Å. In the seventh V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.99 Å. In the eighth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.37 Å. In the ninth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.35 Å. There are twenty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V+4.78+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.78+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.78+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.78+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one V+4.78+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to two V+4.78+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V+4.78+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four V+4.78+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.78+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three V+4.78+ atoms. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the seventeenth O2- site, O2- is bonded to four V+4.78+ atoms to form distorted corner-sharing OV4 trigonal pyramids. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twenty-first O2- site, O2- is bonded in a linear geometry to two V+4.78+ atoms. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-767268
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiV9O22; Li-O-V
OSTI Identifier:
1297482
DOI:
https://doi.org/10.17188/1297482

Citation Formats

The Materials Project. Materials Data on LiV9O22 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1297482.
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The Materials Project. Materials Data on LiV9O22 by Materials Project. United States. doi:https://doi.org/10.17188/1297482
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The Materials Project. 2017. "Materials Data on LiV9O22 by Materials Project". United States. doi:https://doi.org/10.17188/1297482. https://www.osti.gov/servlets/purl/1297482. Pub date:Tue Jul 18 00:00:00 EDT 2017
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@article{osti_1297482,
title = {Materials Data on LiV9O22 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV9O22 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form edge-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 2.01–2.39 Å. There are nine inequivalent V+4.78+ sites. In the first V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.02 Å. In the second V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.31 Å. In the third V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.42 Å. In the fourth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.40 Å. In the fifth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.37 Å. In the sixth V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.04 Å. In the seventh V+4.78+ site, V+4.78+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.99 Å. In the eighth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.37 Å. In the ninth V+4.78+ site, V+4.78+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.35 Å. There are twenty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V+4.78+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.78+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.78+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.78+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Li1+ and one V+4.78+ atom. In the seventh O2- site, O2- is bonded in a linear geometry to two V+4.78+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V+4.78+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four V+4.78+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.78+ atoms. In the fifteenth O2- site, O2- is bonded in a trigonal planar geometry to three V+4.78+ atoms. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom. In the seventeenth O2- site, O2- is bonded to four V+4.78+ atoms to form distorted corner-sharing OV4 trigonal pyramids. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the nineteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twentieth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.78+ atoms. In the twenty-first O2- site, O2- is bonded in a linear geometry to two V+4.78+ atoms. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one V+4.78+ atom.},
doi = {10.17188/1297482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}
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DOI: https://doi.org/10.17188/1297482
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