U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr7Pt10 by Materials Project
Abstract
Zr7Pt10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are four inequivalent Zr+2.86+ sites. In the first Zr+2.86+ site, Zr+2.86+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.88–2.98 Å. In the second Zr+2.86+ site, Zr+2.86+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. There are four shorter (2.81 Å) and four longer (2.82 Å) Zr–Pt bond lengths. In the third Zr+2.86+ site, Zr+2.86+ is bonded in a distorted body-centered cubic geometry to eight Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.79–2.85 Å. In the fourth Zr+2.86+ site, Zr+2.86+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.83–2.92 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Zr+2.86+ atoms. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to five Zr+2.86+ atoms. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Zr+2.86+ atoms.
- Publication Date:
- Other Number(s):
- mp-1207440
- 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; Pt-Zr; Zr7Pt10; crystal structure
- OSTI Identifier:
- 1680782
- DOI:
- https://doi.org/10.17188/1680782
Citation Formats
Materials Data on Zr7Pt10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680782.
Materials Data on Zr7Pt10 by Materials Project. United States. doi:https://doi.org/10.17188/1680782
2020.
"Materials Data on Zr7Pt10 by Materials Project". United States. doi:https://doi.org/10.17188/1680782. https://www.osti.gov/servlets/purl/1680782. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680782,
title = {Materials Data on Zr7Pt10 by Materials Project},
abstractNote = {Zr7Pt10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are four inequivalent Zr+2.86+ sites. In the first Zr+2.86+ site, Zr+2.86+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.88–2.98 Å. In the second Zr+2.86+ site, Zr+2.86+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. There are four shorter (2.81 Å) and four longer (2.82 Å) Zr–Pt bond lengths. In the third Zr+2.86+ site, Zr+2.86+ is bonded in a distorted body-centered cubic geometry to eight Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.79–2.85 Å. In the fourth Zr+2.86+ site, Zr+2.86+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. There are a spread of Zr–Pt bond distances ranging from 2.83–2.92 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Zr+2.86+ atoms. In the second Pt2- site, Pt2- is bonded in a 1-coordinate geometry to five Zr+2.86+ atoms. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Zr+2.86+ atoms.},
doi = {10.17188/1680782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}