Materials Data on U6Si19Pt30 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1740356· OSTI ID:1740356

U6Pt30Si19 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. U4+ is bonded in a 6-coordinate geometry to six Pt2- atoms. There are a spread of U–Pt bond distances ranging from 3.09–3.13 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.67 Å. In the second Pt2- site, Pt2- is bonded to four Si+1.89+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.43–2.57 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.67 Å. In the fourth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.64 Å. In the fifth Pt2- site, Pt2- is bonded in a 4-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.60 Å. There are four inequivalent Si+1.89+ sites. In the first Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+1.89+ site, Si+1.89+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si+1.89+ site, Si+1.89+ is bonded in a distorted octahedral geometry to six equivalent Pt2- 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: 1740356
• Report Number(s): mp-1217537
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pt-Si-U
U6Si19Pt30
crystal structure