Materials Data on Ce2PPt8 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1699746· OSTI ID:1699746

Ce2Pt8P crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce+3.50+ is bonded in a 5-coordinate geometry to fifteen Pt+1.50- atoms. There are a spread of Ce–Pt bond distances ranging from 3.04–3.50 Å. There are five inequivalent Pt+1.50- sites. In the first Pt+1.50- site, Pt+1.50- is bonded in a distorted single-bond geometry to four equivalent Ce+3.50+, six Pt+1.50-, and one P5+ atom. There are a spread of Pt–Pt bond distances ranging from 2.68–2.88 Å. The Pt–P bond length is 2.29 Å. In the second Pt+1.50- site, Pt+1.50- is bonded to four equivalent Ce+3.50+ and eight Pt+1.50- atoms to form a mixture of face, edge, and corner-sharing PtCe4Pt8 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.72 Å) Pt–Pt bond lengths. In the third Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three equivalent Ce+3.50+ and six Pt+1.50- atoms. In the fourth Pt+1.50- site, Pt+1.50- is bonded in a 12-coordinate geometry to four equivalent Ce+3.50+, six Pt+1.50-, and two equivalent P5+ atoms. Both Pt–Pt bond lengths are 2.93 Å. Both Pt–P bond lengths are 2.47 Å. In the fifth Pt+1.50- site, Pt+1.50- is bonded in a 1-coordinate geometry to four equivalent Ce+3.50+, two equivalent Pt+1.50-, and one P5+ atom. The Pt–P bond length is 2.23 Å. P5+ is bonded in a 5-coordinate geometry to five Pt+1.50- 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: 1699746
• Report Number(s): mp-1102498
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-P-Pt
Ce2PPt8
crystal structure