Materials Data on Gd(SiAu)2 by Materials Project
Abstract
Gd(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent Si4- atoms to form GdSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent GdSi8 hexagonal bipyramids. All Gd–Si bond lengths are 3.25 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent GdSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 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 Gd3+, 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-22615
- 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; Gd(SiAu)2; Au-Gd-Si
- OSTI Identifier:
- 1198825
- DOI:
- https://doi.org/10.17188/1198825
Citation Formats
The Materials Project. Materials Data on Gd(SiAu)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198825.
The Materials Project. Materials Data on Gd(SiAu)2 by Materials Project. United States. doi:https://doi.org/10.17188/1198825
The Materials Project. 2020.
"Materials Data on Gd(SiAu)2 by Materials Project". United States. doi:https://doi.org/10.17188/1198825. https://www.osti.gov/servlets/purl/1198825. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198825,
title = {Materials Data on Gd(SiAu)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd(AuSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to eight equivalent Si4- atoms to form GdSi8 hexagonal bipyramids that share corners with sixteen equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 hexagonal bipyramids, edges with eight equivalent AuSi4 tetrahedra, and faces with four equivalent GdSi8 hexagonal bipyramids. All Gd–Si bond lengths are 3.25 Å. Au+2.50+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent GdSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent GdSi8 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 Gd3+, four equivalent Au+2.50+, and one Si4- atom. The Si–Si bond length is 2.30 Å.},
doi = {10.17188/1198825},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}