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Title: Materials Data on LiLa8V8O32 by Materials Project

Abstract

LiLa8V8O32 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one La3+ and five O2- atoms. The Li–La bond length is 2.56 Å. There are a spread of Li–O bond distances ranging from 1.77–2.34 Å. There are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–3.03 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.51–3.01 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–3.04 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.98 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to one Li1+ and eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.76 Å. In the sixth La3+ site, La3+more » is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.90 Å. In the seventh La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.94 Å. In the eighth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.98 Å. There are eight inequivalent V+4.88+ sites. In the first V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.79–1.86 Å. In the second V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.75 Å) V–O bond length. In the third V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the fourth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. In the fifth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. In the sixth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. In the seventh V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the eighth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.77 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one V+4.88+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three La3+, and one V+4.88+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one V+4.88+ atom. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, two La3+, and one V+4.88+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one V+4.88+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the thirty-first O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirty-second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom.« less

Publication Date:
Other Number(s):
mp-769499
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; LiLa8V8O32; La-Li-O-V
OSTI Identifier:
1298823
DOI:
10.17188/1298823

Citation Formats

The Materials Project. Materials Data on LiLa8V8O32 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298823.
The Materials Project. Materials Data on LiLa8V8O32 by Materials Project. United States. doi:10.17188/1298823.
The Materials Project. 2020. "Materials Data on LiLa8V8O32 by Materials Project". United States. doi:10.17188/1298823. https://www.osti.gov/servlets/purl/1298823. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298823,
title = {Materials Data on LiLa8V8O32 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa8V8O32 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one La3+ and five O2- atoms. The Li–La bond length is 2.56 Å. There are a spread of Li–O bond distances ranging from 1.77–2.34 Å. There are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–3.03 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.51–3.01 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–3.04 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.98 Å. In the fifth La3+ site, La3+ is bonded in a 9-coordinate geometry to one Li1+ and eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.76 Å. In the sixth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.90 Å. In the seventh La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.94 Å. In the eighth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.98 Å. There are eight inequivalent V+4.88+ sites. In the first V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.79–1.86 Å. In the second V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.75 Å) V–O bond length. In the third V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the fourth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. In the fifth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. In the sixth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. In the seventh V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.75 Å. In the eighth V+4.88+ site, V+4.88+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.77 Å. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two La3+ and one V+4.88+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, three La3+, and one V+4.88+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two La3+ and one V+4.88+ atom. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, two La3+, and one V+4.88+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two La3+, and one V+4.88+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one V+4.88+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-fourth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the twenty-fifth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-sixth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one V+4.88+ atom. In the thirtieth O2- site, O2- is bonded in a distorted single-bond geometry to two La3+ and one V+4.88+ atom. In the thirty-first O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom. In the thirty-second O2- site, O2- is bonded in a 1-coordinate geometry to two La3+ and one V+4.88+ atom.},
doi = {10.17188/1298823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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