Materials Data on NbSiAs by Materials Project
NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197245
- Report Number(s):
- mp-21907
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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