Materials Data on VPd3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316198· OSTI ID:1316198

Pd3V is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Pd atoms to form VPd12 cuboctahedra that share corners with six equivalent VPd12 cuboctahedra, corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eighteen equivalent PdV4Pd8 cuboctahedra, faces with eight equivalent VPd12 cuboctahedra, and faces with twelve equivalent PdV4Pd8 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.76 Å) V–Pd bond lengths. Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with four equivalent VPd12 cuboctahedra, corners with fourteen equivalent PdV4Pd8 cuboctahedra, edges with six equivalent VPd12 cuboctahedra, edges with twelve equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with sixteen equivalent PdV4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.72–2.81 Å.

• 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: 1316198
• Report Number(s): mp-979980
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pd-V
VPd3
crystal structure