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Title: Materials Data on LiV6O15 by Materials Project

Abstract

LiV6O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.49 Å. There are six inequivalent V+4.83+ sites. In the first V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.01 Å. In the second V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.01 Å. In the third V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.36 Å. In the fourth V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.27 Å. In the fifth V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.49 Å. In the sixth V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There aremore » a spread of V–O bond distances ranging from 1.64–2.27 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+4.83+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one V+4.83+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.83+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.83+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.83+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.83+ atoms.« less

Publication Date:
Other Number(s):
mp-776036
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; LiV6O15; Li-O-V
OSTI Identifier:
1304092
DOI:
https://doi.org/10.17188/1304092

Citation Formats

The Materials Project. Materials Data on LiV6O15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304092.
The Materials Project. Materials Data on LiV6O15 by Materials Project. United States. doi:https://doi.org/10.17188/1304092
The Materials Project. 2020. "Materials Data on LiV6O15 by Materials Project". United States. doi:https://doi.org/10.17188/1304092. https://www.osti.gov/servlets/purl/1304092. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1304092,
title = {Materials Data on LiV6O15 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV6O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.49 Å. There are six inequivalent V+4.83+ sites. In the first V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.01 Å. In the second V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.01 Å. In the third V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.62–2.36 Å. In the fourth V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.27 Å. In the fifth V+4.83+ site, V+4.83+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.49 Å. In the sixth V+4.83+ site, V+4.83+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.27 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.83+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+4.83+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one V+4.83+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.83+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.83+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.83+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V+4.83+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to four V+4.83+ atoms. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.83+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.83+ atoms.},
doi = {10.17188/1304092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}