Materials Data on VPd2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188053· OSTI ID:1188053

VPd2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten equivalent Pd atoms to form distorted VV2Pd10 cuboctahedra that share corners with two equivalent VV2Pd10 cuboctahedra, corners with ten equivalent PdV5Pd7 cuboctahedra, edges with twelve equivalent VV2Pd10 cuboctahedra, edges with twelve equivalent PdV5Pd7 cuboctahedra, faces with four equivalent VV2Pd10 cuboctahedra, and faces with fourteen equivalent PdV5Pd7 cuboctahedra. Both V–V bond lengths are 2.75 Å. There are eight shorter (2.71 Å) and two longer (2.82 Å) V–Pd bond lengths. Pd is bonded to five equivalent V and seven equivalent Pd atoms to form distorted PdV5Pd7 cuboctahedra that share corners with five equivalent VV2Pd10 cuboctahedra, corners with seven equivalent PdV5Pd7 cuboctahedra, edges with six equivalent VV2Pd10 cuboctahedra, edges with eighteen equivalent PdV5Pd7 cuboctahedra, faces with seven equivalent VV2Pd10 cuboctahedra, and faces with eleven equivalent PdV5Pd7 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.70–2.77 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: 1188053
• Report Number(s): mp-11549
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pd-V
VPd2
crystal structure