Materials Data on Nb5Pt3O by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1192555· OSTI ID:1192555

The Materials Project

Nb5Pt3O crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to five equivalent Pt and two equivalent O atoms. There are a spread of Nb–Pt bond distances ranging from 2.84–2.89 Å. Both Nb–O bond lengths are 2.30 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Nb and six equivalent Pt atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Pt bond lengths are 2.76 Å. Pt is bonded in a 9-coordinate geometry to nine Nb atoms. O is bonded to six equivalent Nb atoms to form face-sharing ONb6 octahedra.

• 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: 1192555
• Report Number(s): mp-17525
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Nb5Pt3O
Nb-O-Pt