Materials Data on PrBPt3 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188095· OSTI ID:1188095

The Materials Project

PrPt3B crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Pr3+ is bonded to twelve Pt2- atoms to form a mixture of distorted face and corner-sharing PrPt12 cuboctahedra. There are a spread of Pr–Pt bond distances ranging from 2.93–3.33 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to four equivalent Pr3+ and two equivalent B3+ atoms. Both Pt–B bond lengths are 2.24 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and one B3+ atom. The Pt–B bond length is 2.11 Å. B3+ is bonded in a 5-coordinate geometry to five Pt2- 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: 1188095
• Report Number(s): mp-11596
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PrBPt3
B-Pr-Pt