U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlPd3 by Materials Project
Abstract
Pd3Tl is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent Tl atoms to form PdTl4Pd8 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with twenty PdTl4Pd8 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with four equivalent PdTl4Pd8 cuboctahedra, and faces with six equivalent TlPd12 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. All Pd–Tl bond lengths are 2.98 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd4 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with sixteen PdTl4Pd8 cuboctahedra, edges with four equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, and faces with six equivalent PdTl4Pd4 cuboctahedra. All Pd–Tl bond lengths are 2.85 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with four equivalent TlPd12 cuboctahedra, corners with twenty-four PdTl4Pd8 cuboctahedra, edges with eight equivalent PdTl4Pd4 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with six equivalent PdTl4Pd8 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-571030
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TlPd3; Pd-Tl
- OSTI Identifier:
- 1276055
- DOI:
- https://doi.org/10.17188/1276055
Citation Formats
The Materials Project. Materials Data on TlPd3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1276055.
The Materials Project. Materials Data on TlPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1276055
The Materials Project. 2017.
"Materials Data on TlPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1276055. https://www.osti.gov/servlets/purl/1276055. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1276055,
title = {Materials Data on TlPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3Tl is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent Tl atoms to form PdTl4Pd8 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with twenty PdTl4Pd8 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, faces with four equivalent PdTl4Pd8 cuboctahedra, and faces with six equivalent TlPd12 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. All Pd–Tl bond lengths are 2.98 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent Tl atoms to form distorted PdTl4Pd4 cuboctahedra that share corners with eight equivalent TlPd12 cuboctahedra, corners with sixteen PdTl4Pd8 cuboctahedra, edges with four equivalent TlPd12 cuboctahedra, edges with sixteen PdTl4Pd8 cuboctahedra, and faces with six equivalent PdTl4Pd4 cuboctahedra. All Pd–Tl bond lengths are 2.85 Å. Tl is bonded to twelve Pd atoms to form TlPd12 cuboctahedra that share corners with four equivalent TlPd12 cuboctahedra, corners with twenty-four PdTl4Pd8 cuboctahedra, edges with eight equivalent PdTl4Pd4 cuboctahedra, edges with eight equivalent TlPd12 cuboctahedra, faces with four equivalent TlPd12 cuboctahedra, and faces with six equivalent PdTl4Pd8 cuboctahedra.},
doi = {10.17188/1276055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}