Materials Data on Al2BiSe4 by Materials Project
Al2BiSe4 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form edge-sharing AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Bi2+ is bonded in a rectangular see-saw-like geometry to four equivalent Se2- atoms. All Bi–Se bond lengths are 3.00 Å. Se2- is bonded in a 3-coordinate geometry to two Al3+ and one Bi2+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1276360
- Report Number(s):
- mp-571623
- Country of Publication:
- United States
- Language:
- English
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