Materials Data on PaSe3 by Materials Project

Dataset · Tue May 09 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1309682· OSTI ID:1309682

The Materials Project

PaSe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent Se+1.67- atoms to form a mixture of face and corner-sharing PaSe12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.12 Å) Pa–Se bond lengths. Se+1.67- is bonded in a distorted see-saw-like geometry to four equivalent Pa5+ 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: 1309682
• Report Number(s): mp-862867
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PaSe3
Pa-Se