U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr3Te by Materials Project
Abstract
Zr3Te crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.05 Å) Zr–Te bond lengths. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Te atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.12 Å. In the third Zr site, Zr is bonded to four equivalent Te atoms to form a mixture of distorted corner and edge-sharing ZrTe4 tetrahedra. There are a spread of Zr–Te bond distances ranging from 2.93–2.98 Å. Te is bonded in a 9-coordinate geometry to nine Zr atoms.
- Publication Date:
- Other Number(s):
- mp-1793
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Te-Zr; Zr3Te; crystal structure
- OSTI Identifier:
- 1192783
- DOI:
- https://doi.org/10.17188/1192783
Citation Formats
Materials Data on Zr3Te by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192783.
Materials Data on Zr3Te by Materials Project. United States. doi:https://doi.org/10.17188/1192783
2020.
"Materials Data on Zr3Te by Materials Project". United States. doi:https://doi.org/10.17188/1192783. https://www.osti.gov/servlets/purl/1192783. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192783,
title = {Materials Data on Zr3Te by Materials Project},
abstractNote = {Zr3Te crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Te atoms. There are one shorter (2.91 Å) and one longer (3.05 Å) Zr–Te bond lengths. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Te atoms. There are a spread of Zr–Te bond distances ranging from 2.92–3.12 Å. In the third Zr site, Zr is bonded to four equivalent Te atoms to form a mixture of distorted corner and edge-sharing ZrTe4 tetrahedra. There are a spread of Zr–Te bond distances ranging from 2.93–2.98 Å. Te is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1192783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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