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Title: Materials Data on Tl3Zn by Materials Project

Abstract

ZnTl3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded to twelve Tl atoms to form distorted ZnTl12 cuboctahedra that share corners with four equivalent ZnTl12 cuboctahedra, corners with eight equivalent TlTl8Zn4 cuboctahedra, edges with eight equivalent ZnTl12 cuboctahedra, edges with sixteen equivalent TlTl8Zn4 cuboctahedra, faces with four equivalent ZnTl12 cuboctahedra, and faces with fourteen TlTl8Zn4 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.43 Å) Zn–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Zn and eight Tl atoms to form distorted TlTl8Zn4 cuboctahedra that share corners with twelve equivalent TlTl8Zn4 cuboctahedra, edges with eight equivalent ZnTl12 cuboctahedra, edges with sixteen TlTl8Zn4 cuboctahedra, faces with four equivalent ZnTl12 cuboctahedra, and faces with fourteen TlTl8Zn4 cuboctahedra. There are four shorter (3.37 Å) and four longer (3.43 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to four equivalent Zn and eight equivalent Tl atoms to form TlTl8Zn4 cuboctahedra that share corners with four equivalent TlTl8Zn4 cuboctahedra, corners with eight equivalent ZnTl12 cuboctahedra, edges with twenty-four TlTl8Zn4 cuboctahedra, faces with six equivalent ZnTl12 cuboctahedra, andmore » faces with twelve TlTl8Zn4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1187551
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; Tl3Zn; Tl-Zn
OSTI Identifier:
1734097
DOI:
https://doi.org/10.17188/1734097

Citation Formats

The Materials Project. Materials Data on Tl3Zn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734097.
The Materials Project. Materials Data on Tl3Zn by Materials Project. United States. doi:https://doi.org/10.17188/1734097
The Materials Project. 2020. "Materials Data on Tl3Zn by Materials Project". United States. doi:https://doi.org/10.17188/1734097. https://www.osti.gov/servlets/purl/1734097. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1734097,
title = {Materials Data on Tl3Zn by Materials Project},
author = {The Materials Project},
abstractNote = {ZnTl3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded to twelve Tl atoms to form distorted ZnTl12 cuboctahedra that share corners with four equivalent ZnTl12 cuboctahedra, corners with eight equivalent TlTl8Zn4 cuboctahedra, edges with eight equivalent ZnTl12 cuboctahedra, edges with sixteen equivalent TlTl8Zn4 cuboctahedra, faces with four equivalent ZnTl12 cuboctahedra, and faces with fourteen TlTl8Zn4 cuboctahedra. There are four shorter (3.37 Å) and eight longer (3.43 Å) Zn–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Zn and eight Tl atoms to form distorted TlTl8Zn4 cuboctahedra that share corners with twelve equivalent TlTl8Zn4 cuboctahedra, edges with eight equivalent ZnTl12 cuboctahedra, edges with sixteen TlTl8Zn4 cuboctahedra, faces with four equivalent ZnTl12 cuboctahedra, and faces with fourteen TlTl8Zn4 cuboctahedra. There are four shorter (3.37 Å) and four longer (3.43 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded to four equivalent Zn and eight equivalent Tl atoms to form TlTl8Zn4 cuboctahedra that share corners with four equivalent TlTl8Zn4 cuboctahedra, corners with eight equivalent ZnTl12 cuboctahedra, edges with twenty-four TlTl8Zn4 cuboctahedra, faces with six equivalent ZnTl12 cuboctahedra, and faces with twelve TlTl8Zn4 cuboctahedra.},
doi = {10.17188/1734097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}