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Title: Materials Data on Na2TbO3 by Materials Project

Abstract

Na2TbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twenty-five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.71 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.79 Å. In the third Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.70 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.76 Å. In the fifth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.89 Å. In the sixth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.79 Å. In the seventh Na1+ site, Na1+ is bondedmore » in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.76 Å. In the eighth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.83 Å. In the ninth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.73 Å. In the tenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.90 Å. In the eleventh Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the twelfth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.70 Å. In the thirteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the fourteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.82 Å. In the fifteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.87 Å. In the sixteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. In the seventeenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. In the eighteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.84 Å. In the nineteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.81 Å. In the twentieth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.86 Å. In the twenty-first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.77 Å. In the twenty-second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.72 Å. In the twenty-third Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.72 Å. In the twenty-fourth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.69 Å. In the twenty-fifth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.70 Å. There are twelve inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.73 Å. In the second Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.68 Å. In the third Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.73 Å. In the fourth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.72 Å. In the fifth Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.56 Å. In the sixth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.76 Å. In the seventh Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.72 Å. In the eighth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.69 Å. In the ninth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.70 Å. In the tenth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.76 Å. In the eleventh Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.39–2.56 Å. In the twelfth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.73 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the second O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the third O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the fifth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the sixth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the seventh O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two Tb4+ atoms. In the eighth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the ninth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the tenth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the eleventh O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twelfth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the fourteenth O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two Tb4+ atoms. In the fifteenth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the sixteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the seventeenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the eighteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the nineteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twentieth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-first O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-second O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-third O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirtieth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-first O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-second O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted body-centered cubic geometry to five Na1+ and three Tb4+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted body-centered cubic geometry to five Na1+ and three Tb4+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-686281
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; Na2TbO3; Na-O-Tb
OSTI Identifier:
1284311
DOI:
10.17188/1284311

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2TbO3 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1284311.
Persson, Kristin, & Project, Materials. Materials Data on Na2TbO3 by Materials Project. United States. doi:10.17188/1284311.
Persson, Kristin, and Project, Materials. 2013. "Materials Data on Na2TbO3 by Materials Project". United States. doi:10.17188/1284311. https://www.osti.gov/servlets/purl/1284311. Pub date:Sat Nov 16 00:00:00 EST 2013
@article{osti_1284311,
title = {Materials Data on Na2TbO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2TbO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twenty-five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.71 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.79 Å. In the third Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.70 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.46–2.76 Å. In the fifth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.89 Å. In the sixth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.79 Å. In the seventh Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.76 Å. In the eighth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.83 Å. In the ninth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.73 Å. In the tenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.90 Å. In the eleventh Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the twelfth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.70 Å. In the thirteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.80 Å. In the fourteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.82 Å. In the fifteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.87 Å. In the sixteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. In the seventeenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.82 Å. In the eighteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.84 Å. In the nineteenth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.81 Å. In the twentieth Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.86 Å. In the twenty-first Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.77 Å. In the twenty-second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.72 Å. In the twenty-third Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.72 Å. In the twenty-fourth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.69 Å. In the twenty-fifth Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.70 Å. There are twelve inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.73 Å. In the second Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.68 Å. In the third Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.73 Å. In the fourth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.35–2.72 Å. In the fifth Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.56 Å. In the sixth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.76 Å. In the seventh Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.72 Å. In the eighth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.69 Å. In the ninth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.70 Å. In the tenth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.76 Å. In the eleventh Tb4+ site, Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.39–2.56 Å. In the twelfth Tb4+ site, Tb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.33–2.73 Å. There are thirty-six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the second O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the third O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the fifth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the sixth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the seventh O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two Tb4+ atoms. In the eighth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the ninth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the tenth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the eleventh O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twelfth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the fourteenth O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two Tb4+ atoms. In the fifteenth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the sixteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the seventeenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the eighteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the nineteenth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twentieth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-first O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-second O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-third O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-sixth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the twenty-eighth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirtieth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-first O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-second O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-third O2- site, O2- is bonded in a distorted body-centered cubic geometry to five Na1+ and three Tb4+ atoms. In the thirty-fourth O2- site, O2- is bonded in a 8-coordinate geometry to five Na1+ and three Tb4+ atoms. In the thirty-fifth O2- site, O2- is bonded in a distorted body-centered cubic geometry to five Na1+ and three Tb4+ atoms. In the thirty-sixth O2- site, O2- is bonded in a 8-coordinate geometry to six Na1+ and two Tb4+ atoms.},
doi = {10.17188/1284311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2013},
month = {11}
}

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