Materials Data on P2PbAu2 by Materials Project

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

DOI:https://doi.org/10.17188/1204533· OSTI ID:1204533

The Materials Project

Au2PbP2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Au–P bond lengths are 2.38 Å. In the second Au2+ site, Au2+ is bonded in a distorted T-shaped geometry to one Pb2+ and two equivalent P3- atoms. The Au–Pb bond length is 2.93 Å. Both Au–P bond lengths are 2.36 Å. Pb2+ is bonded in a single-bond geometry to one Au2+ atom. P3- is bonded to two Au2+ and two equivalent P3- atoms to form corner-sharing PP2Au2 tetrahedra. Both P–P bond lengths are 2.23 Å.

• 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: 1204533
• Report Number(s): mp-30108
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
P2PbAu2
Au-P-Pb