Materials Data on Ga3Te3As by Materials Project
Ga3AsTe3 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form corner-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.59–2.68 Å. In the second Ga3+ site, Ga3+ is bonded to one As3- and three Te2- atoms to form corner-sharing GaTe3As tetrahedra. The Ga–As bond length is 2.52 Å. There are one shorter (2.60 Å) and two longer (2.70 Å) Ga–Te bond lengths. In the third Ga3+ site, Ga3+ is bonded to three equivalent As3- and one Te2- atom to form corner-sharing GaTeAs3 tetrahedra. There are one shorter (2.51 Å) and two longer (2.54 Å) Ga–As bond lengths. The Ga–Te bond length is 2.69 Å. As3- is bonded to four Ga3+ atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a water-like geometry to two Ga3+ atoms. In the third Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to three Ga3+ 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:
- 1282898
- Report Number(s):
- mp-675954
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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