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Title: Materials Data on Zr3Te by Materials Project

Abstract

Zr3Te crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 9-coordinate geometry to seven Zr and two equivalent Te atoms. There are a spread of Zr–Zr bond distances ranging from 2.83–3.25 Å. Both Zr–Te bond lengths are 3.13 Å. In the second Zr site, Zr is bonded in a distorted trigonal planar geometry to six equivalent Zr and three equivalent Te atoms. All Zr–Te bond lengths are 3.29 Å. In the third Zr site, Zr is bonded to six equivalent Zr and six equivalent Te atoms to form edge-sharing ZrZr6Te6 cuboctahedra. All Zr–Te bond lengths are 3.53 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Te site, Te is bonded in a hexagonal planar geometry to six equivalent Zr atoms.

Publication Date:
Other Number(s):
mp-1103188
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zr3Te; Te-Zr
OSTI Identifier:
1707273
DOI:
https://doi.org/10.17188/1707273

Citation Formats

The Materials Project. Materials Data on Zr3Te by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707273.
The Materials Project. Materials Data on Zr3Te by Materials Project. United States. doi:https://doi.org/10.17188/1707273
The Materials Project. 2020. "Materials Data on Zr3Te by Materials Project". United States. doi:https://doi.org/10.17188/1707273. https://www.osti.gov/servlets/purl/1707273. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707273,
title = {Materials Data on Zr3Te by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3Te crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 9-coordinate geometry to seven Zr and two equivalent Te atoms. There are a spread of Zr–Zr bond distances ranging from 2.83–3.25 Å. Both Zr–Te bond lengths are 3.13 Å. In the second Zr site, Zr is bonded in a distorted trigonal planar geometry to six equivalent Zr and three equivalent Te atoms. All Zr–Te bond lengths are 3.29 Å. In the third Zr site, Zr is bonded to six equivalent Zr and six equivalent Te atoms to form edge-sharing ZrZr6Te6 cuboctahedra. All Zr–Te bond lengths are 3.53 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Te site, Te is bonded in a hexagonal planar geometry to six equivalent Zr atoms.},
doi = {10.17188/1707273},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}