Materials Data on Tb(SiAu)2 by Materials Project
Abstract
TbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.23 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-569577
- 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; Tb(SiAu)2; Au-Si-Tb
- OSTI Identifier:
- 1275163
- DOI:
- https://doi.org/10.17188/1275163
Citation Formats
The Materials Project. Materials Data on Tb(SiAu)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275163.
The Materials Project. Materials Data on Tb(SiAu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1275163
The Materials Project. 2020.
"Materials Data on Tb(SiAu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1275163. https://www.osti.gov/servlets/purl/1275163. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275163,
title = {Materials Data on Tb(SiAu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbAu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded to eight equivalent Si4- atoms to form TbSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent TbSi8 hexagonal bipyramids. All Tb–Si bond lengths are 3.23 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent TbSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent TbSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Au–Si bond lengths are 2.57 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.},
doi = {10.17188/1275163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}