U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GeAsSe by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-29249
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Ge-Se; crystal structure; GeAsSe
- OSTI Identifier:
- 1203627
- DOI:
- https://doi.org/10.17188/1203627
Citation Formats
Materials Data on GeAsSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203627.
Materials Data on GeAsSe by Materials Project. United States. doi:https://doi.org/10.17188/1203627
2020.
"Materials Data on GeAsSe by Materials Project". United States. doi:https://doi.org/10.17188/1203627. https://www.osti.gov/servlets/purl/1203627. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1203627,
title = {Materials Data on GeAsSe by Materials Project},
abstractNote = {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.},
doi = {10.17188/1203627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}