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Title: Materials Data on ThZn4 by Materials Project

Abstract

ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.

Authors:
Publication Date:
Other Number(s):
mp-536
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; ThZn4; Th-Zn
OSTI Identifier:
1263564
DOI:
https://doi.org/10.17188/1263564

Citation Formats

The Materials Project. Materials Data on ThZn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263564.
The Materials Project. Materials Data on ThZn4 by Materials Project. United States. doi:https://doi.org/10.17188/1263564
The Materials Project. 2020. "Materials Data on ThZn4 by Materials Project". United States. doi:https://doi.org/10.17188/1263564. https://www.osti.gov/servlets/purl/1263564. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263564,
title = {Materials Data on ThZn4 by Materials Project},
author = {The Materials Project},
abstractNote = {ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.},
doi = {10.17188/1263564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}