U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgPt3 by Materials Project
Abstract
Pt3Hg crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form PtHg2Pt10 cuboctahedra that share corners with twelve equivalent PtHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with eight equivalent HgHg2Pt10 cuboctahedra, and faces with ten PtHg2Pt10 cuboctahedra. There are eight shorter (2.86 Å) and two longer (2.91 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.91 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Hg2+ atoms to form distorted PtHg4Pt8 cuboctahedra that share corners with twelve equivalent PtHg4Pt8 cuboctahedra, edges with eight equivalent HgHg2Pt10 cuboctahedra, edges with sixteen PtHg2Pt10 cuboctahedra, faces with four equivalent HgHg2Pt10 cuboctahedra, and faces with fourteen PtHg2Pt10 cuboctahedra. All Pt–Pt bond lengths are 2.91 Å. All Pt–Hg bond lengths are 2.86 Å. Hg2+ is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form distorted HgHg2Pt10 cuboctahedra that share corners with twelve equivalent HgHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with two equivalent HgHg2Pt10 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-1066522
- 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; Hg-Pt; HgPt3; crystal structure
- OSTI Identifier:
- 1664238
- DOI:
- https://doi.org/10.17188/1664238
Citation Formats
Materials Data on HgPt3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664238.
Materials Data on HgPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1664238
2020.
"Materials Data on HgPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1664238. https://www.osti.gov/servlets/purl/1664238. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1664238,
title = {Materials Data on HgPt3 by Materials Project},
abstractNote = {Pt3Hg crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form PtHg2Pt10 cuboctahedra that share corners with twelve equivalent PtHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with eight equivalent HgHg2Pt10 cuboctahedra, and faces with ten PtHg2Pt10 cuboctahedra. There are eight shorter (2.86 Å) and two longer (2.91 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.91 Å. In the second Pt+0.67- site, Pt+0.67- is bonded to eight Pt+0.67- and four equivalent Hg2+ atoms to form distorted PtHg4Pt8 cuboctahedra that share corners with twelve equivalent PtHg4Pt8 cuboctahedra, edges with eight equivalent HgHg2Pt10 cuboctahedra, edges with sixteen PtHg2Pt10 cuboctahedra, faces with four equivalent HgHg2Pt10 cuboctahedra, and faces with fourteen PtHg2Pt10 cuboctahedra. All Pt–Pt bond lengths are 2.91 Å. All Pt–Hg bond lengths are 2.86 Å. Hg2+ is bonded to ten Pt+0.67- and two equivalent Hg2+ atoms to form distorted HgHg2Pt10 cuboctahedra that share corners with twelve equivalent HgHg2Pt10 cuboctahedra, edges with four equivalent HgHg2Pt10 cuboctahedra, edges with twenty PtHg2Pt10 cuboctahedra, faces with two equivalent HgHg2Pt10 cuboctahedra, and faces with sixteen PtHg2Pt10 cuboctahedra. Both Hg–Hg bond lengths are 2.91 Å.},
doi = {10.17188/1664238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}