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Title: Materials Data on Tb2(WO4)3 by Materials Project

Abstract

Tb2(WO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.26–2.30 Å. In the second Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–33°. All W–O bond lengths are 1.81 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–34°. There is two shorter (1.81 Å) and two longer (1.82 Å) W–O bond length. In the third W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra.more » The corner-sharing octahedra tilt angles range from 10–35°. All W–O bond lengths are 1.81 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-770516
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; Tb2(WO4)3; O-Tb-W
OSTI Identifier:
1299833
DOI:
10.17188/1299833

Citation Formats

The Materials Project. Materials Data on Tb2(WO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299833.
The Materials Project. Materials Data on Tb2(WO4)3 by Materials Project. United States. doi:10.17188/1299833.
The Materials Project. 2020. "Materials Data on Tb2(WO4)3 by Materials Project". United States. doi:10.17188/1299833. https://www.osti.gov/servlets/purl/1299833. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1299833,
title = {Materials Data on Tb2(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2(WO4)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.26–2.30 Å. In the second Tb3+ site, Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six WO4 tetrahedra. There are a spread of Tb–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–33°. All W–O bond lengths are 1.81 Å. In the second W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–34°. There is two shorter (1.81 Å) and two longer (1.82 Å) W–O bond length. In the third W6+ site, W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four TbO6 octahedra. The corner-sharing octahedra tilt angles range from 10–35°. All W–O bond lengths are 1.81 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Tb3+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a linear geometry to one Tb3+ and one W6+ atom.},
doi = {10.17188/1299833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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