Materials Data on GeAsSe by Materials Project
GeAsSe crystallizes in the orthorhombic Pnna space group. The structure is two-dimensional and consists of two GeAsSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.51 Å. Both Ge–Se bond lengths are 2.39 Å. In the second Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.50 Å. Both Ge–Se bond lengths are 2.41 Å. As2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one As2- atom. The As–As bond length is 2.49 Å. Se2- is bonded in an L-shaped geometry to two Ge4+ 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:
- 1203627
- Report Number(s):
- mp-29249
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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