Materials Data on Cu3P by Materials Project

Dataset · Fri Jul 17 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1288438· OSTI ID:1288438

Cu3P crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to two equivalent P3- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Cu–P bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.37 Å. In the third Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.37 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. There are one shorter (2.38 Å) and two longer (2.46 Å) Cu–P bond lengths. P3- is bonded in a 10-coordinate geometry to eight Cu1+ atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1288438
• Report Number(s): mp-7463
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-P
Cu3P
crystal structure