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Title: Materials Data on TiZn2 by Materials Project

Abstract

Zn2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve Zn atoms. There are one shorter (2.99 Å) and three longer (3.13 Å) Ti–Ti bond lengths. There are a spread of Ti–Zn bond distances ranging from 2.95–2.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ti and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the second Zn site, Zn is bonded to six equivalent Ti and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.62 Å) Zn–Zn bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-30882
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; TiZn2; Ti-Zn
OSTI Identifier:
1205235
DOI:
https://doi.org/10.17188/1205235

Citation Formats

The Materials Project. Materials Data on TiZn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205235.
The Materials Project. Materials Data on TiZn2 by Materials Project. United States. doi:https://doi.org/10.17188/1205235
The Materials Project. 2020. "Materials Data on TiZn2 by Materials Project". United States. doi:https://doi.org/10.17188/1205235. https://www.osti.gov/servlets/purl/1205235. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205235,
title = {Materials Data on TiZn2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve Zn atoms. There are one shorter (2.99 Å) and three longer (3.13 Å) Ti–Ti bond lengths. There are a spread of Ti–Zn bond distances ranging from 2.95–2.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ti and six equivalent Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the second Zn site, Zn is bonded to six equivalent Ti and six Zn atoms to form a mixture of edge, face, and corner-sharing ZnTi6Zn6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.62 Å) Zn–Zn bond lengths.},
doi = {10.17188/1205235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}