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Title: Materials Data on Tb11O20 by Materials Project

Abstract

Tb11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tb+3.64+ sites. In the first Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.36 Å. In the second Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.65 Å. In the third Tb+3.64+ site, Tb+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.43 Å. In the fourth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.30–2.36 Å. In the fifth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.37 Å. In the sixth Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms.more » There are a spread of Tb–O bond distances ranging from 2.31–2.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the seventh O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the eighth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Tb+3.64+ atoms. In the tenth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556069
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; Tb11O20; O-Tb
OSTI Identifier:
1269153
DOI:
10.17188/1269153

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tb11O20 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269153.
Persson, Kristin, & Project, Materials. Materials Data on Tb11O20 by Materials Project. United States. doi:10.17188/1269153.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tb11O20 by Materials Project". United States. doi:10.17188/1269153. https://www.osti.gov/servlets/purl/1269153. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269153,
title = {Materials Data on Tb11O20 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tb11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tb+3.64+ sites. In the first Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.36 Å. In the second Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.65 Å. In the third Tb+3.64+ site, Tb+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.43 Å. In the fourth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.30–2.36 Å. In the fifth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.37 Å. In the sixth Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the seventh O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the eighth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Tb+3.64+ atoms. In the tenth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra.},
doi = {10.17188/1269153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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