U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiZnHg2 by Materials Project
Abstract
TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Zn atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent TiZn4Hg8 cuboctahedra, edges with eight equivalent ZnTi4Hg8 cuboctahedra, faces with four equivalent ZnTi4Hg8 cuboctahedra, and faces with six equivalent TiZn4Hg8 cuboctahedra. All Ti–Hg bond lengths are 2.94 Å. All Ti–Zn bond lengths are 3.13 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Hg–Zn bond lengths are 2.94 Å. Zn is bonded to four equivalent Ti and eight equivalent Hg atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent ZnTi4Hg8 cuboctahedra, edges with eight equivalent TiZn4Hg8 cuboctahedra, faces with four equivalent TiZn4Hg8 cuboctahedra, and faces with six equivalent ZnTi4Hg8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1216652
- 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-Ti-Zn; TiZnHg2; crystal structure
- OSTI Identifier:
- 1688189
- DOI:
- https://doi.org/10.17188/1688189
Citation Formats
Materials Data on TiZnHg2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1688189.
Materials Data on TiZnHg2 by Materials Project. United States. doi:https://doi.org/10.17188/1688189
2019.
"Materials Data on TiZnHg2 by Materials Project". United States. doi:https://doi.org/10.17188/1688189. https://www.osti.gov/servlets/purl/1688189. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1688189,
title = {Materials Data on TiZnHg2 by Materials Project},
abstractNote = {TiHg2Zn is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Hg and four equivalent Zn atoms to form distorted TiZn4Hg8 cuboctahedra that share corners with twelve equivalent TiZn4Hg8 cuboctahedra, edges with eight equivalent ZnTi4Hg8 cuboctahedra, faces with four equivalent ZnTi4Hg8 cuboctahedra, and faces with six equivalent TiZn4Hg8 cuboctahedra. All Ti–Hg bond lengths are 2.94 Å. All Ti–Zn bond lengths are 3.13 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Hg–Zn bond lengths are 2.94 Å. Zn is bonded to four equivalent Ti and eight equivalent Hg atoms to form ZnTi4Hg8 cuboctahedra that share corners with twelve equivalent ZnTi4Hg8 cuboctahedra, edges with eight equivalent TiZn4Hg8 cuboctahedra, faces with four equivalent TiZn4Hg8 cuboctahedra, and faces with six equivalent ZnTi4Hg8 cuboctahedra.},
doi = {10.17188/1688189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}