Materials Data on ReP3 by Materials Project

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

DOI:https://doi.org/10.17188/1314557· OSTI ID:1314557

The Materials Project

ReP3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re7+ is bonded in a distorted body-centered cubic geometry to fourteen P+2.33- atoms. There are eight shorter (2.60 Å) and six longer (3.01 Å) Re–P bond lengths. There are two inequivalent P+2.33- sites. In the first P+2.33- site, P+2.33- is bonded in a body-centered cubic geometry to four equivalent Re7+ and four equivalent P+2.33- atoms. All P–P bond lengths are 2.60 Å. In the second P+2.33- site, P+2.33- is bonded in a 8-coordinate geometry to six equivalent Re7+ and eight equivalent P+2.33- 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: 1314557
• Report Number(s): mp-974565
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ReP3
P-Re