U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiCdHg2 by Materials Project
Abstract
TiHg2Cd crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Cd atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent TiCd4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent CdTi4Hg8 cuboctahedra, faces with four equivalent CdTi4Hg8 cuboctahedra, and faces with six equivalent TiCd4Hg8 cuboctahedra. All Ti–Hg bond lengths are 3.05 Å. All Ti–Cd bond lengths are 3.16 Å. Hg is bonded to four equivalent Ti and four equivalent Cd atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent TiCd4Hg8 cuboctahedra, corners with eight equivalent HgTi4Cd4 cuboctahedra, corners with eight equivalent CdTi4Hg8 cuboctahedra, edges with four equivalent TiCd4Hg8 cuboctahedra, edges with four equivalent CdTi4Hg8 cuboctahedra, edges with twelve equivalent HgTi4Cd4 cuboctahedra, and faces with six equivalent HgTi4Cd4 cuboctahedra. All Hg–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Ti and eight equivalent Hg atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent CdTi4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent TiCd4Hg8 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, faces with four equivalent TiCd4Hg8 cuboctahedra, and facesmore »
- Publication Date:
- Other Number(s):
- mp-11300
- 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; Cd-Hg-Ti; TiCdHg2; crystal structure
- OSTI Identifier:
- 1187722
- DOI:
- https://doi.org/10.17188/1187722
Citation Formats
Materials Data on TiCdHg2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1187722.
Materials Data on TiCdHg2 by Materials Project. United States. doi:https://doi.org/10.17188/1187722
2017.
"Materials Data on TiCdHg2 by Materials Project". United States. doi:https://doi.org/10.17188/1187722. https://www.osti.gov/servlets/purl/1187722. Pub date:Wed May 10 04:00:00 UTC 2017
@article{osti_1187722,
title = {Materials Data on TiCdHg2 by Materials Project},
abstractNote = {TiHg2Cd crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Cd atoms to form TiCd4Hg8 cuboctahedra that share corners with twelve equivalent TiCd4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent CdTi4Hg8 cuboctahedra, faces with four equivalent CdTi4Hg8 cuboctahedra, and faces with six equivalent TiCd4Hg8 cuboctahedra. All Ti–Hg bond lengths are 3.05 Å. All Ti–Cd bond lengths are 3.16 Å. Hg is bonded to four equivalent Ti and four equivalent Cd atoms to form distorted HgTi4Cd4 cuboctahedra that share corners with eight equivalent TiCd4Hg8 cuboctahedra, corners with eight equivalent HgTi4Cd4 cuboctahedra, corners with eight equivalent CdTi4Hg8 cuboctahedra, edges with four equivalent TiCd4Hg8 cuboctahedra, edges with four equivalent CdTi4Hg8 cuboctahedra, edges with twelve equivalent HgTi4Cd4 cuboctahedra, and faces with six equivalent HgTi4Cd4 cuboctahedra. All Hg–Cd bond lengths are 3.05 Å. Cd is bonded to four equivalent Ti and eight equivalent Hg atoms to form CdTi4Hg8 cuboctahedra that share corners with twelve equivalent CdTi4Hg8 cuboctahedra, corners with sixteen equivalent HgTi4Cd4 cuboctahedra, edges with eight equivalent TiCd4Hg8 cuboctahedra, edges with eight equivalent HgTi4Cd4 cuboctahedra, faces with four equivalent TiCd4Hg8 cuboctahedra, and faces with six equivalent CdTi4Hg8 cuboctahedra.},
doi = {10.17188/1187722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}