U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TePd3 by Materials Project
Abstract
Pd3Te 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 Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with twelve equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and faces with fourteen PdTe4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.98 Å) Pd–Pd bond lengths. All Pd–Te bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with four equivalent PdTe4Pd8 cuboctahedra, corners with eight equivalent TePd12 cuboctahedra, edges with twenty-four PdTe4Pd8 cuboctahedra, faces with six equivalent TePd12 cuboctahedra, and faces with twelve PdTe4Pd8 cuboctahedra. All Pd–Te bond lengths are 2.98 Å. Te is bonded to twelve Pd atoms to form TePd12 cuboctahedra that share corners with four equivalent TePd12 cuboctahedra, corners with eight equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen equivalent PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and facesmore »
- Publication Date:
- Other Number(s):
- mp-979273
- 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; Pd-Te; TePd3
- OSTI Identifier:
- 1316113
- DOI:
- https://doi.org/10.17188/1316113
Citation Formats
Materials Data on TePd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316113.
Materials Data on TePd3 by Materials Project. United States. doi:https://doi.org/10.17188/1316113
2020.
"Materials Data on TePd3 by Materials Project". United States. doi:https://doi.org/10.17188/1316113. https://www.osti.gov/servlets/purl/1316113. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1316113,
title = {Materials Data on TePd3 by Materials Project},
abstractNote = {Pd3Te 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 Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with twelve equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and faces with fourteen PdTe4Pd8 cuboctahedra. There are four shorter (2.86 Å) and four longer (2.98 Å) Pd–Pd bond lengths. All Pd–Te bond lengths are 2.86 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Te atoms to form PdTe4Pd8 cuboctahedra that share corners with four equivalent PdTe4Pd8 cuboctahedra, corners with eight equivalent TePd12 cuboctahedra, edges with twenty-four PdTe4Pd8 cuboctahedra, faces with six equivalent TePd12 cuboctahedra, and faces with twelve PdTe4Pd8 cuboctahedra. All Pd–Te bond lengths are 2.98 Å. Te is bonded to twelve Pd atoms to form TePd12 cuboctahedra that share corners with four equivalent TePd12 cuboctahedra, corners with eight equivalent PdTe4Pd8 cuboctahedra, edges with eight equivalent TePd12 cuboctahedra, edges with sixteen equivalent PdTe4Pd8 cuboctahedra, faces with four equivalent TePd12 cuboctahedra, and faces with fourteen PdTe4Pd8 cuboctahedra.},
doi = {10.17188/1316113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}