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Title: Materials Data on Tb3Th by Materials Project

Abstract

ThTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Tb atoms to form ThTb12 cuboctahedra that share corners with four equivalent ThTb12 cuboctahedra, corners with eight equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen equivalent TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are eight shorter (3.56 Å) and four longer (3.59 Å) Th–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Th and eight Tb atoms to form TbTb8Th4 cuboctahedra that share corners with twelve equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.59 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Th and eight equivalent Tb atoms to form TbTb8Th4 cuboctahedra that share corners with four equivalent TbTb8Th4 cuboctahedra, corners with eight equivalent ThTb12 cuboctahedra, edges with twenty-four TbTb8Th4 cuboctahedra, faces with six equivalent ThTb12 cuboctahedra, and faces withmore » twelve TbTb8Th4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1187324
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; Tb3Th; Tb-Th
OSTI Identifier:
1724973
DOI:
https://doi.org/10.17188/1724973

Citation Formats

The Materials Project. Materials Data on Tb3Th by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724973.
The Materials Project. Materials Data on Tb3Th by Materials Project. United States. doi:https://doi.org/10.17188/1724973
The Materials Project. 2020. "Materials Data on Tb3Th by Materials Project". United States. doi:https://doi.org/10.17188/1724973. https://www.osti.gov/servlets/purl/1724973. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724973,
title = {Materials Data on Tb3Th by Materials Project},
author = {The Materials Project},
abstractNote = {ThTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Tb atoms to form ThTb12 cuboctahedra that share corners with four equivalent ThTb12 cuboctahedra, corners with eight equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen equivalent TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are eight shorter (3.56 Å) and four longer (3.59 Å) Th–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Th and eight Tb atoms to form TbTb8Th4 cuboctahedra that share corners with twelve equivalent TbTb8Th4 cuboctahedra, edges with eight equivalent ThTb12 cuboctahedra, edges with sixteen TbTb8Th4 cuboctahedra, faces with four equivalent ThTb12 cuboctahedra, and faces with fourteen TbTb8Th4 cuboctahedra. There are four shorter (3.56 Å) and four longer (3.59 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Th and eight equivalent Tb atoms to form TbTb8Th4 cuboctahedra that share corners with four equivalent TbTb8Th4 cuboctahedra, corners with eight equivalent ThTb12 cuboctahedra, edges with twenty-four TbTb8Th4 cuboctahedra, faces with six equivalent ThTb12 cuboctahedra, and faces with twelve TbTb8Th4 cuboctahedra.},
doi = {10.17188/1724973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}