Materials Data on Zn3(GaTe3)2 by Materials Project
Zn3(GaTe3)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with five ZnTe4 tetrahedra and corners with five equivalent GaTe4 tetrahedra. There are one shorter (2.65 Å) and three longer (2.69 Å) Zn–Te bond lengths. In the second Zn2+ site, Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are two shorter (2.64 Å) and two longer (2.75 Å) Zn–Te bond lengths. Ga3+ is bonded to four Te2- atoms to form GaTe4 tetrahedra that share corners with two equivalent GaTe4 tetrahedra and corners with seven ZnTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.64–2.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded in a trigonal non-coplanar geometry to two Zn2+ and one Ga3+ atom. In the third Te2- site, Te2- is bonded to three Zn2+ and one Ga3+ atom to form corner-sharing TeZn3Ga tetrahedra.
- 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:
- 1728060
- Report Number(s):
- mp-1215666
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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