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Title: Materials Data on Tb(BiO2)3 by Materials Project

Abstract

Tb(BiO2)3 is Ilmenite-like structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six BiO6 octahedra and edges with six BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are three shorter (2.32 Å) and three longer (2.34 Å) Tb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent TbO6 octahedra, and edges with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Bi–O bond distances ranging from 2.35–2.48 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent TbO6 octahedra, and edges with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Bi–O bond distances ranging from 2.36–2.47 Å. There are two inequivalentmore » O2- sites. In the first O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OTbBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OTbBi3 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-757715
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; Tb(BiO2)3; Bi-O-Tb
OSTI Identifier:
1290871
DOI:
10.17188/1290871

Citation Formats

The Materials Project. Materials Data on Tb(BiO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290871.
The Materials Project. Materials Data on Tb(BiO2)3 by Materials Project. United States. doi:10.17188/1290871.
The Materials Project. 2020. "Materials Data on Tb(BiO2)3 by Materials Project". United States. doi:10.17188/1290871. https://www.osti.gov/servlets/purl/1290871. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1290871,
title = {Materials Data on Tb(BiO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb(BiO2)3 is Ilmenite-like structured and crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Tb3+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six BiO6 octahedra and edges with six BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are three shorter (2.32 Å) and three longer (2.34 Å) Tb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent TbO6 octahedra, and edges with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Bi–O bond distances ranging from 2.35–2.48 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with two equivalent TbO6 octahedra, corners with four equivalent BiO6 octahedra, edges with two equivalent TbO6 octahedra, and edges with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 53–57°. There are a spread of Bi–O bond distances ranging from 2.36–2.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OTbBi3 trigonal pyramids. In the second O2- site, O2- is bonded to one Tb3+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OTbBi3 trigonal pyramids.},
doi = {10.17188/1290871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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