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Title: Materials Data on Tb3Zr by Materials Project

Abstract

Tb3Zr is beta Cu3Ti-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 Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with twelve equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra. All Tb–Tb bond lengths are 3.46 Å. All Tb–Zr bond lengths are 3.46 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with four equivalent TbTb8Zr4 cuboctahedra, corners with eight equivalent ZrTb12 cuboctahedra, edges with twenty-four TbTb8Zr4 cuboctahedra, faces with six equivalent ZrTb12 cuboctahedra, and faces with twelve TbTb8Zr4 cuboctahedra. All Tb–Zr bond lengths are 3.46 Å. Zr is bonded to twelve Tb atoms to form ZrTb12 cuboctahedra that share corners with four equivalent ZrTb12 cuboctahedra, corners with eight equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1187323
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; Tb3Zr; Tb-Zr
OSTI Identifier:
1747939
DOI:
https://doi.org/10.17188/1747939

Citation Formats

The Materials Project. Materials Data on Tb3Zr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747939.
The Materials Project. Materials Data on Tb3Zr by Materials Project. United States. doi:https://doi.org/10.17188/1747939
The Materials Project. 2020. "Materials Data on Tb3Zr by Materials Project". United States. doi:https://doi.org/10.17188/1747939. https://www.osti.gov/servlets/purl/1747939. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747939,
title = {Materials Data on Tb3Zr by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3Zr is beta Cu3Ti-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 Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with twelve equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra. All Tb–Tb bond lengths are 3.46 Å. All Tb–Zr bond lengths are 3.46 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent Zr atoms to form TbTb8Zr4 cuboctahedra that share corners with four equivalent TbTb8Zr4 cuboctahedra, corners with eight equivalent ZrTb12 cuboctahedra, edges with twenty-four TbTb8Zr4 cuboctahedra, faces with six equivalent ZrTb12 cuboctahedra, and faces with twelve TbTb8Zr4 cuboctahedra. All Tb–Zr bond lengths are 3.46 Å. Zr is bonded to twelve Tb atoms to form ZrTb12 cuboctahedra that share corners with four equivalent ZrTb12 cuboctahedra, corners with eight equivalent TbTb8Zr4 cuboctahedra, edges with eight equivalent ZrTb12 cuboctahedra, edges with sixteen equivalent TbTb8Zr4 cuboctahedra, faces with four equivalent ZrTb12 cuboctahedra, and faces with fourteen TbTb8Zr4 cuboctahedra.},
doi = {10.17188/1747939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}