U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgPPt5 by Materials Project
Abstract
Pt5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to eight equivalent Pt+1.20- and four equivalent Hg1+ atoms. All Pt–Pt bond lengths are 2.96 Å. All Pt–Hg bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Hg1+, and two equivalent P5+ atoms. There are four shorter (2.82 Å) and one longer (2.85 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.96 Å. Both Pt–P bond lengths are 2.45 Å. Hg1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing HgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.
- Publication Date:
- Other Number(s):
- mp-1025386
- 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; crystal structure; Hg-P-Pt; HgPPt5
- OSTI Identifier:
- 1355383
- DOI:
- https://doi.org/10.17188/1355383
Citation Formats
Materials Data on HgPPt5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355383.
Materials Data on HgPPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1355383
2020.
"Materials Data on HgPPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1355383. https://www.osti.gov/servlets/purl/1355383. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1355383,
title = {Materials Data on HgPPt5 by Materials Project},
abstractNote = {Pt5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to eight equivalent Pt+1.20- and four equivalent Hg1+ atoms. All Pt–Pt bond lengths are 2.96 Å. All Pt–Hg bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Hg1+, and two equivalent P5+ atoms. There are four shorter (2.82 Å) and one longer (2.85 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.96 Å. Both Pt–P bond lengths are 2.45 Å. Hg1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing HgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},
doi = {10.17188/1355383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}