Materials Data on GaAs2W by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279253· OSTI ID:1279253

The Materials Project

WGaAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. W3+ is bonded to four equivalent As3- atoms to form distorted corner-sharing WAs4 tetrahedra. All W–As bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. All Ga–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent W3+ and four equivalent As3- atoms. All As–As bond lengths are 2.81 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Ga3+ and four equivalent As3- 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: 1279253
• Report Number(s): mp-631565
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
GaAs2W
As-Ga-W