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Title: Materials Data on Tb3Bi by Materials Project

Abstract

Tb3Bi is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Bi atoms to form distorted TbTb8Bi4 cuboctahedra that share corners with twelve equivalent TbTb8Bi4 cuboctahedra, edges with eight equivalent TbTb8Bi4 cuboctahedra, edges with eight equivalent BiTb12 cuboctahedra, faces with four equivalent BiTb12 cuboctahedra, and faces with ten equivalent TbTb8Bi4 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.56 Å) Tb–Tb bond lengths. All Tb–Bi bond lengths are 3.56 Å. In the second Tb site, Tb is bonded in a square co-planar geometry to eight equivalent Tb and four equivalent Bi atoms. All Tb–Bi bond lengths are 3.35 Å. Bi is bonded to twelve Tb atoms to form BiTb12 cuboctahedra that share corners with four equivalent BiTb12 cuboctahedra, edges with eight equivalent BiTb12 cuboctahedra, edges with sixteen equivalent TbTb8Bi4 cuboctahedra, faces with four equivalent BiTb12 cuboctahedra, and faces with eight equivalent TbTb8Bi4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1187275
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; Tb3Bi; Bi-Tb
OSTI Identifier:
1708560
DOI:
https://doi.org/10.17188/1708560

Citation Formats

The Materials Project. Materials Data on Tb3Bi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708560.
The Materials Project. Materials Data on Tb3Bi by Materials Project. United States. doi:https://doi.org/10.17188/1708560
The Materials Project. 2020. "Materials Data on Tb3Bi by Materials Project". United States. doi:https://doi.org/10.17188/1708560. https://www.osti.gov/servlets/purl/1708560. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1708560,
title = {Materials Data on Tb3Bi by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Bi is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent Bi atoms to form distorted TbTb8Bi4 cuboctahedra that share corners with twelve equivalent TbTb8Bi4 cuboctahedra, edges with eight equivalent TbTb8Bi4 cuboctahedra, edges with eight equivalent BiTb12 cuboctahedra, faces with four equivalent BiTb12 cuboctahedra, and faces with ten equivalent TbTb8Bi4 cuboctahedra. There are four shorter (3.35 Å) and four longer (3.56 Å) Tb–Tb bond lengths. All Tb–Bi bond lengths are 3.56 Å. In the second Tb site, Tb is bonded in a square co-planar geometry to eight equivalent Tb and four equivalent Bi atoms. All Tb–Bi bond lengths are 3.35 Å. Bi is bonded to twelve Tb atoms to form BiTb12 cuboctahedra that share corners with four equivalent BiTb12 cuboctahedra, edges with eight equivalent BiTb12 cuboctahedra, edges with sixteen equivalent TbTb8Bi4 cuboctahedra, faces with four equivalent BiTb12 cuboctahedra, and faces with eight equivalent TbTb8Bi4 cuboctahedra.},
doi = {10.17188/1708560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}