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Title: Materials Data on Tb6PbSe10 by Materials Project

Abstract

Tb6PbSe10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.50 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.27 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.85–3.50 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.72–3.42 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.49 Å. In the sixth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.84–3.47 Å. In the seventh Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eightmore » Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.36 Å. In the eighth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.50 Å. In the ninth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.55 Å. In the tenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.88–3.45 Å. In the eleventh Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.67–3.47 Å. In the twelfth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.44 Å. In the thirteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.78–3.49 Å. In the fourteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.82–3.44 Å. In the fifteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.80–3.42 Å. In the sixteenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.27 Å. In the seventeenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.29 Å. In the eighteenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.84–3.13 Å. In the nineteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.48 Å. In the twentieth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.72–3.52 Å. In the twenty-first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.21 Å. In the twenty-second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.68–3.26 Å. In the twenty-third Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.79–3.25 Å. In the twenty-fourth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.51 Å. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.74–3.58 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.86–3.66 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.81–3.68 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.92–3.55 Å. There are forty inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and one Pb2+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to four Tb3+ and one Pb2+ atom. In the seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Tb3+ and one Pb2+ atom. In the ninth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the tenth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the eleventh Se2- site, Se2- is bonded in a 2-coordinate geometry to five Tb3+ and one Pb2+ atom. In the twelfth Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fourteenth Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fifteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the sixteenth Se2- site, Se2- is bonded in a 3-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the seventeenth Se2- site, Se2- is bonded in a 6-coordinate geometry to five Tb3+ and one Pb2+ atom. In the eighteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twentieth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the twenty-second Se2- site, Se2- is bonded in a distorted square pyramidal geometry to five Tb3+ and one Pb2+ atom. In the twenty-third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the twenty-fourth Se2- site, Se2- is bonded to five Tb3+ atoms to form distorted edge-sharing SeTb5 square pyramids. In the twenty-fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twenty-sixth Se2- site, Se2- is bonded to five Tb3+ atoms to form distorted edge-sharing SeTb5 square pyramids. In the twenty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twenty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to six Tb3+ atoms. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the thirty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the thirty-third Se2- site, Se2- is bonded in a 5-coordinate geometry to six Tb3+ atoms. In the thirty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the thirty-sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the thirty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the fortieth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-675130
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; Tb6PbSe10; Pb-Se-Tb
OSTI Identifier:
1282598
DOI:
https://doi.org/10.17188/1282598

Citation Formats

The Materials Project. Materials Data on Tb6PbSe10 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1282598.
The Materials Project. Materials Data on Tb6PbSe10 by Materials Project. United States. doi:https://doi.org/10.17188/1282598
The Materials Project. 2016. "Materials Data on Tb6PbSe10 by Materials Project". United States. doi:https://doi.org/10.17188/1282598. https://www.osti.gov/servlets/purl/1282598. Pub date:Thu Aug 04 00:00:00 EDT 2016
@article{osti_1282598,
title = {Materials Data on Tb6PbSe10 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb6PbSe10 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.50 Å. In the second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.27 Å. In the third Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.85–3.50 Å. In the fourth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.72–3.42 Å. In the fifth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.49 Å. In the sixth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.84–3.47 Å. In the seventh Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.36 Å. In the eighth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.50 Å. In the ninth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.87–3.55 Å. In the tenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.88–3.45 Å. In the eleventh Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.67–3.47 Å. In the twelfth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.44 Å. In the thirteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.78–3.49 Å. In the fourteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.82–3.44 Å. In the fifteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.80–3.42 Å. In the sixteenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.27 Å. In the seventeenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.69–3.29 Å. In the eighteenth Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.84–3.13 Å. In the nineteenth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.83–3.48 Å. In the twentieth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.72–3.52 Å. In the twenty-first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.21 Å. In the twenty-second Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.68–3.26 Å. In the twenty-third Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.79–3.25 Å. In the twenty-fourth Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Tb–Se bond distances ranging from 2.76–3.51 Å. There are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.74–3.58 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.86–3.66 Å. In the third Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.81–3.68 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.92–3.55 Å. There are forty inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and one Pb2+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the sixth Se2- site, Se2- is bonded in a 1-coordinate geometry to four Tb3+ and one Pb2+ atom. In the seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Tb3+ and one Pb2+ atom. In the ninth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the tenth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the eleventh Se2- site, Se2- is bonded in a 2-coordinate geometry to five Tb3+ and one Pb2+ atom. In the twelfth Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the thirteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fourteenth Se2- site, Se2- is bonded in a 2-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the fifteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the sixteenth Se2- site, Se2- is bonded in a 3-coordinate geometry to four Tb3+ and two Pb2+ atoms. In the seventeenth Se2- site, Se2- is bonded in a 6-coordinate geometry to five Tb3+ and one Pb2+ atom. In the eighteenth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the nineteenth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twentieth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the twenty-first Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ and one Pb2+ atom. In the twenty-second Se2- site, Se2- is bonded in a distorted square pyramidal geometry to five Tb3+ and one Pb2+ atom. In the twenty-third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the twenty-fourth Se2- site, Se2- is bonded to five Tb3+ atoms to form distorted edge-sharing SeTb5 square pyramids. In the twenty-fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twenty-sixth Se2- site, Se2- is bonded to five Tb3+ atoms to form distorted edge-sharing SeTb5 square pyramids. In the twenty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the twenty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the twenty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirtieth Se2- site, Se2- is bonded in a 5-coordinate geometry to six Tb3+ atoms. In the thirty-first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the thirty-second Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the thirty-third Se2- site, Se2- is bonded in a 5-coordinate geometry to six Tb3+ atoms. In the thirty-fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the thirty-sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-seventh Se2- site, Se2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the thirty-eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. In the thirty-ninth Se2- site, Se2- is bonded in a 5-coordinate geometry to four Tb3+ and one Pb2+ atom. In the fortieth Se2- site, Se2- is bonded in a 4-coordinate geometry to five Tb3+ atoms.},
doi = {10.17188/1282598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {8}
}