U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb2SiAs2 by Materials Project
Abstract
Nb2SiAs2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb5+ is bonded in a linear geometry to one Si4- and one As3- atom. The Nb–Si bond length is 2.57 Å. The Nb–As bond length is 2.77 Å. Si4- is bonded to two equivalent Nb5+ and four equivalent Si4- atoms to form distorted SiNb2Si4 octahedra that share corners with two equivalent AsNbAs5 octahedra, corners with four equivalent SiNb2Si4 octahedra, and edges with four equivalent SiNb2Si4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Si–Si bond lengths are 2.70 Å. As3- is bonded to one Nb5+ and five equivalent As3- atoms to form distorted AsNbAs5 octahedra that share a cornercorner with one SiNb2Si4 octahedra, corners with four equivalent AsNbAs5 octahedra, and edges with eight equivalent AsNbAs5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.70 Å) and one longer (2.82 Å) As–As bond lengths.
- Publication Date:
- Other Number(s):
- mp-1210105
- 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; As-Nb-Si; Nb2SiAs2; crystal structure
- OSTI Identifier:
- 1732247
- DOI:
- https://doi.org/10.17188/1732247
Citation Formats
Materials Data on Nb2SiAs2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732247.
Materials Data on Nb2SiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1732247
2019.
"Materials Data on Nb2SiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1732247. https://www.osti.gov/servlets/purl/1732247. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1732247,
title = {Materials Data on Nb2SiAs2 by Materials Project},
abstractNote = {Nb2SiAs2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb5+ is bonded in a linear geometry to one Si4- and one As3- atom. The Nb–Si bond length is 2.57 Å. The Nb–As bond length is 2.77 Å. Si4- is bonded to two equivalent Nb5+ and four equivalent Si4- atoms to form distorted SiNb2Si4 octahedra that share corners with two equivalent AsNbAs5 octahedra, corners with four equivalent SiNb2Si4 octahedra, and edges with four equivalent SiNb2Si4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Si–Si bond lengths are 2.70 Å. As3- is bonded to one Nb5+ and five equivalent As3- atoms to form distorted AsNbAs5 octahedra that share a cornercorner with one SiNb2Si4 octahedra, corners with four equivalent AsNbAs5 octahedra, and edges with eight equivalent AsNbAs5 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.70 Å) and one longer (2.82 Å) As–As bond lengths.},
doi = {10.17188/1732247},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}