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Title: Materials Data on LaTlGeSe4 by Materials Project

Abstract

LaTlGeSe4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.10–3.37 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.39 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.37 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.10–3.38 Å. In the sixth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.38 Å. In the seventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eightmore » Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.39 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.35 Å. There are eight inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.92 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.54 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.29–3.92 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.55 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.55 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.55 Å. In the seventh Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.53 Å. In the eighth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.53 Å. There are eight inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the third Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the fourth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the fifth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the sixth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the seventh Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.38–2.42 Å. In the eighth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. There are thirty-two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, three Tl1+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the sixth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the tenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the eleventh Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twelfth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the fourteenth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the fifteenth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the sixteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the seventeenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the eighteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twentieth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the twenty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-third Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twenty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, three Tl1+, and one Ge4+ atom. In the twenty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirty-second Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-684022
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; LaTlGeSe4; Ge-La-Se-Tl
OSTI Identifier:
1283857
DOI:
https://doi.org/10.17188/1283857

Citation Formats

The Materials Project. Materials Data on LaTlGeSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283857.
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The Materials Project. Materials Data on LaTlGeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1283857
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The Materials Project. 2020. "Materials Data on LaTlGeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1283857. https://www.osti.gov/servlets/purl/1283857. Pub date:Wed Apr 29 00:00:00 EDT 2020
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@article{osti_1283857,
title = {Materials Data on LaTlGeSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTlGeSe4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.10–3.37 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.39 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.11–3.37 Å. In the fifth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.10–3.38 Å. In the sixth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.38 Å. In the seventh La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.39 Å. In the eighth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of La–Se bond distances ranging from 3.12–3.35 Å. There are eight inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.92 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.54 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.29–3.92 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.55 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.55 Å. In the sixth Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.55 Å. In the seventh Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.31–3.53 Å. In the eighth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.30–3.53 Å. There are eight inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the third Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the fourth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the fifth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.41 Å. In the sixth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. In the seventh Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.38–2.42 Å. In the eighth Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.42 Å. There are thirty-two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, three Tl1+, and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the sixth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the tenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the eleventh Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twelfth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the fourteenth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the fifteenth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the sixteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the seventeenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the eighteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twentieth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the twenty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-third Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, two Tl1+, and one Ge4+ atom. In the twenty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to one La3+, three Tl1+, and one Ge4+ atom. In the twenty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the twenty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to two La3+, two Tl1+, and one Ge4+ atom. In the thirty-second Se2- site, Se2- is bonded in a 4-coordinate geometry to three La3+ and one Ge4+ atom.},
doi = {10.17188/1283857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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DOI: https://doi.org/10.17188/1283857
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