Materials Data on B2AsP by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1325057· OSTI ID:1325057

The Materials Project

B2AsP is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to two equivalent As3- and two equivalent P3- atoms to form corner-sharing BAs2P2 tetrahedra. Both B–As bond lengths are 2.06 Å. Both B–P bond lengths are 1.99 Å. As3- is bonded to four equivalent B3+ atoms to form AsB4 tetrahedra that share corners with four equivalent AsB4 tetrahedra and corners with eight equivalent PB4 tetrahedra. P3- is bonded to four equivalent B3+ atoms to form PB4 tetrahedra that share corners with four equivalent PB4 tetrahedra and corners with eight equivalent AsB4 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: 1325057
• Report Number(s): mp-1008528
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
B2AsP
As-B-P