Materials Data on GaAgSnSe4 by Materials Project
AgGaSnSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Ga–Se bond lengths are 2.45 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Ag1+, one Ga3+, and one Sn4+ 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:
- 1652185
- Report Number(s):
- mp-1224848
- Country of Publication:
- United States
- Language:
- English
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