Materials Data on BeSiAs2 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1325572· OSTI ID:1325572

The Materials Project

SiAsBeAs is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent As3- atoms to form BeAs4 tetrahedra that share corners with four equivalent BeAs4 tetrahedra and corners with eight equivalent SiAs4 tetrahedra. All Be–As bond lengths are 2.27 Å. Si4+ is bonded to four equivalent As3- atoms to form SiAs4 tetrahedra that share corners with four equivalent SiAs4 tetrahedra and corners with eight equivalent BeAs4 tetrahedra. All Si–As bond lengths are 2.39 Å. As3- is bonded to two equivalent Be2+ and two equivalent Si4+ atoms to form corner-sharing AsBe2Si2 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: 1325572
• Report Number(s): mp-1009087
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BeSiAs2
As-Be-Si