U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr5TePb3 by Materials Project
Abstract
Zr5Pb3Te crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 2.99–3.22 Å. Both Zr–Te bond lengths are 2.94 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded to six equivalent Zr atoms to form distorted face-sharing TeZr6 octahedra.
- Publication Date:
- Other Number(s):
- mp-1189342
- 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; Pb-Te-Zr; Zr5TePb3; crystal structure
- OSTI Identifier:
- 1676865
- DOI:
- https://doi.org/10.17188/1676865
Citation Formats
Materials Data on Zr5TePb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676865.
Materials Data on Zr5TePb3 by Materials Project. United States. doi:https://doi.org/10.17188/1676865
2020.
"Materials Data on Zr5TePb3 by Materials Project". United States. doi:https://doi.org/10.17188/1676865. https://www.osti.gov/servlets/purl/1676865. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1676865,
title = {Materials Data on Zr5TePb3 by Materials Project},
abstractNote = {Zr5Pb3Te crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 2.99–3.22 Å. Both Zr–Te bond lengths are 2.94 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded to six equivalent Zr atoms to form distorted face-sharing TeZr6 octahedra.},
doi = {10.17188/1676865},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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