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Title: Materials Data on La6YbSe10 by Materials Project

Abstract

YbLa6Se10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.30 Å. In the second Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.92–3.65 Å. In the third Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.61 Å. In the fourth Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.28 Å. There are twenty-four 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 2.92–3.57 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 2.84–3.48 Å. In the third La3+ site, La3+ is bondedmore » in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.91–3.20 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 2.97–3.60 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 2.86–3.54 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 2.80–3.55 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 2.92–3.57 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 2.82–3.60 Å. In the ninth 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 2.86–3.50 Å. In the tenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.85–3.35 Å. In the eleventh 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 2.83–3.46 Å. In the twelfth 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 2.81–3.60 Å. In the thirteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.91–3.20 Å. In the fourteenth 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 2.86–3.54 Å. In the fifteenth 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 2.97–3.59 Å. In the sixteenth 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 2.80–3.56 Å. In the seventeenth 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 2.83–3.58 Å. In the eighteenth 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 2.86–3.49 Å. In the nineteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.85–3.35 Å. In the twentieth 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 2.83–3.48 Å. In the twenty-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 2.81–3.60 Å. In the twenty-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 2.83–3.50 Å. In the twenty-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 2.86–3.65 Å. In the twenty-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 2.87–3.64 Å. There are forty inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the tenth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the eleventh Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the twelfth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the fourteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the fifteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the sixteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the seventeenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the eighteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the twentieth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the twenty-second Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the twenty-third Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms. In the twenty-fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-sixth Se2- site, Se2- is bonded in a distorted square pyramidal geometry to one Yb2+ and four La3+ atoms. In the twenty-seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the thirty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the thirty-third Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the thirty-fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the thirty-seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-eighth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-ninth Se2- site, Se2- is bonded in a distorted square pyramidal geometry to one Yb2+ and four La3+ atoms. In the fortieth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms.« less

Publication Date:
Other Number(s):
mp-530910
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; La6YbSe10; La-Se-Yb
OSTI Identifier:
1263280
DOI:
https://doi.org/10.17188/1263280

Citation Formats

The Materials Project. Materials Data on La6YbSe10 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1263280.
The Materials Project. Materials Data on La6YbSe10 by Materials Project. United States. doi:https://doi.org/10.17188/1263280
The Materials Project. 2014. "Materials Data on La6YbSe10 by Materials Project". United States. doi:https://doi.org/10.17188/1263280. https://www.osti.gov/servlets/purl/1263280. Pub date:Wed Mar 05 00:00:00 EST 2014
@article{osti_1263280,
title = {Materials Data on La6YbSe10 by Materials Project},
author = {The Materials Project},
abstractNote = {YbLa6Se10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.30 Å. In the second Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.92–3.65 Å. In the third Yb2+ site, Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.61 Å. In the fourth Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Yb–Se bond distances ranging from 2.93–3.28 Å. There are twenty-four 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 2.92–3.57 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 2.84–3.48 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.91–3.20 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 2.97–3.60 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 2.86–3.54 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 2.80–3.55 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 2.92–3.57 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 2.82–3.60 Å. In the ninth 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 2.86–3.50 Å. In the tenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.85–3.35 Å. In the eleventh 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 2.83–3.46 Å. In the twelfth 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 2.81–3.60 Å. In the thirteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.91–3.20 Å. In the fourteenth 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 2.86–3.54 Å. In the fifteenth 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 2.97–3.59 Å. In the sixteenth 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 2.80–3.56 Å. In the seventeenth 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 2.83–3.58 Å. In the eighteenth 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 2.86–3.49 Å. In the nineteenth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of La–Se bond distances ranging from 2.85–3.35 Å. In the twentieth 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 2.83–3.48 Å. In the twenty-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 2.81–3.60 Å. In the twenty-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 2.83–3.50 Å. In the twenty-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 2.86–3.65 Å. In the twenty-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 2.87–3.64 Å. There are forty inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the tenth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the eleventh Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the twelfth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the fourteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the fifteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the sixteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the seventeenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the eighteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the twentieth Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the twenty-second Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the twenty-third Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms. In the twenty-fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-sixth Se2- site, Se2- is bonded in a distorted square pyramidal geometry to one Yb2+ and four La3+ atoms. In the twenty-seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-eighth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and five La3+ atoms. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the thirty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the thirty-third Se2- site, Se2- is bonded in a 4-coordinate geometry to five La3+ atoms. In the thirty-fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Yb2+ and four La3+ atoms. In the thirty-seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-eighth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Yb2+ and four La3+ atoms. In the thirty-ninth Se2- site, Se2- is bonded in a distorted square pyramidal geometry to one Yb2+ and four La3+ atoms. In the fortieth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Yb2+ and four La3+ atoms.},
doi = {10.17188/1263280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {3}
}