U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd(SiAg)2 by Materials Project
Abstract
Nd(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Si4- atoms to form NdSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent NdSi8 hexagonal bipyramids. All Nd–Si bond lengths are 3.22 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent NdSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.61 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.33 Å.
- Publication Date:
- Other Number(s):
- mp-31204
- 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; Ag-Nd-Si; Nd(SiAg)2; crystal structure
- OSTI Identifier:
- 1205504
- DOI:
- https://doi.org/10.17188/1205504
Citation Formats
Materials Data on Nd(SiAg)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205504.
Materials Data on Nd(SiAg)2 by Materials Project. United States. doi:https://doi.org/10.17188/1205504
2020.
"Materials Data on Nd(SiAg)2 by Materials Project". United States. doi:https://doi.org/10.17188/1205504. https://www.osti.gov/servlets/purl/1205504. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205504,
title = {Materials Data on Nd(SiAg)2 by Materials Project},
abstractNote = {Nd(AgSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Si4- atoms to form NdSi8 hexagonal bipyramids that share corners with sixteen equivalent AgSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, edges with eight equivalent AgSi4 tetrahedra, and faces with four equivalent NdSi8 hexagonal bipyramids. All Nd–Si bond lengths are 3.22 Å. Ag+2.50+ is bonded to four equivalent Si4- atoms to form AgSi4 tetrahedra that share corners with eight equivalent NdSi8 hexagonal bipyramids, corners with four equivalent AgSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, and edges with four equivalent AgSi4 tetrahedra. All Ag–Si bond lengths are 2.61 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ag+2.50+, and one Si4- atom. The Si–Si bond length is 2.33 Å.},
doi = {10.17188/1205504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}