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Title: Materials Data on TbTh by Materials Project

Abstract

ThTb crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Tb atoms to form ThTb6Th6 cuboctahedra that share corners with twelve ThTb6Th6 cuboctahedra, edges with twelve ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent ThTb6Th6 cuboctahedra, and faces with twelve TbTb6Th6 cuboctahedra. All Th–Th bond lengths are 3.55 Å. All Th–Tb bond lengths are 3.56 Å. In the second Th site, Th is bonded to ten equivalent Th and six Tb atoms to form ThTb6Th10 cuboctahedra that share corners with ten TbTb6Th6 cuboctahedra, corners with twelve ThTb6Th6 cuboctahedra, edges with eight TbTb6Th6 cuboctahedra, edges with sixteen ThTb6Th6 cuboctahedra, faces with sixteen equivalent ThTb6Th10 cuboctahedra, and faces with eighteen TbTb6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.55–7.11 Å. All Th–Tb bond lengths are 3.56 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with twelve TbTb6Th6 cuboctahedra, edges with twelve equivalent ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, facesmore » with six equivalent TbTb6Th6 cuboctahedra, and faces with twelve equivalent ThTb6Th6 cuboctahedra. All Tb–Tb bond lengths are 3.55 Å. In the second Tb site, Tb is bonded to six Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with five equivalent ThTb6Th10 cuboctahedra, corners with twelve TbTb6Th6 cuboctahedra, edges with ten ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent TbTb6Th6 cuboctahedra, and faces with fifteen ThTb6Th6 cuboctahedra. All Tb–Th bond lengths are 3.56 Å. All Tb–Tb bond lengths are 3.55 Å. In the third Tb site, Tb is bonded to six Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with five equivalent ThTb6Th10 cuboctahedra, corners with twelve TbTb6Th6 cuboctahedra, edges with ten ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent TbTb6Th6 cuboctahedra, and faces with fifteen ThTb6Th6 cuboctahedra. All Tb–Tb bond lengths are 3.55 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1217474
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; TbTh; Tb-Th
OSTI Identifier:
1758565
DOI:
https://doi.org/10.17188/1758565

Citation Formats

The Materials Project. Materials Data on TbTh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758565.
The Materials Project. Materials Data on TbTh by Materials Project. United States. doi:https://doi.org/10.17188/1758565
The Materials Project. 2020. "Materials Data on TbTh by Materials Project". United States. doi:https://doi.org/10.17188/1758565. https://www.osti.gov/servlets/purl/1758565. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758565,
title = {Materials Data on TbTh by Materials Project},
author = {The Materials Project},
abstractNote = {ThTb crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Tb atoms to form ThTb6Th6 cuboctahedra that share corners with twelve ThTb6Th6 cuboctahedra, edges with twelve ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent ThTb6Th6 cuboctahedra, and faces with twelve TbTb6Th6 cuboctahedra. All Th–Th bond lengths are 3.55 Å. All Th–Tb bond lengths are 3.56 Å. In the second Th site, Th is bonded to ten equivalent Th and six Tb atoms to form ThTb6Th10 cuboctahedra that share corners with ten TbTb6Th6 cuboctahedra, corners with twelve ThTb6Th6 cuboctahedra, edges with eight TbTb6Th6 cuboctahedra, edges with sixteen ThTb6Th6 cuboctahedra, faces with sixteen equivalent ThTb6Th10 cuboctahedra, and faces with eighteen TbTb6Th6 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.55–7.11 Å. All Th–Tb bond lengths are 3.56 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded to six equivalent Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with twelve TbTb6Th6 cuboctahedra, edges with twelve equivalent ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent TbTb6Th6 cuboctahedra, and faces with twelve equivalent ThTb6Th6 cuboctahedra. All Tb–Tb bond lengths are 3.55 Å. In the second Tb site, Tb is bonded to six Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with five equivalent ThTb6Th10 cuboctahedra, corners with twelve TbTb6Th6 cuboctahedra, edges with ten ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent TbTb6Th6 cuboctahedra, and faces with fifteen ThTb6Th6 cuboctahedra. All Tb–Th bond lengths are 3.56 Å. All Tb–Tb bond lengths are 3.55 Å. In the third Tb site, Tb is bonded to six Th and six equivalent Tb atoms to form TbTb6Th6 cuboctahedra that share corners with five equivalent ThTb6Th10 cuboctahedra, corners with twelve TbTb6Th6 cuboctahedra, edges with ten ThTb6Th6 cuboctahedra, edges with twelve TbTb6Th6 cuboctahedra, faces with six equivalent TbTb6Th6 cuboctahedra, and faces with fifteen ThTb6Th6 cuboctahedra. All Tb–Tb bond lengths are 3.55 Å.},
doi = {10.17188/1758565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}