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DOE OSTI2020

Materials Data on VPd3 by Materials Project

Pd3V is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V is bonded to twelve equivalent Pd atoms to form VPd12 cuboctahedra that share corners with twelve equivalent VPd12 cuboctahedra, edges with twenty-four equivalent PdV4Pd8 cuboctahedra, faces with six equivalent VPd12 cuboctahedra, and faces with twelve equivalent PdV4Pd8 cuboctahedra. All V–Pd bond lengths are 2.76 Å. Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen equivalent PdV4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPd3 by Materials Project

Pd3V is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Pd atoms to form VPd12 cuboctahedra that share corners with four equivalent VPd12 cuboctahedra, corners with eight equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen equivalent PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen PdV4Pd8 cuboctahedra. There are four shorter (2.74 Å) and eight longer (2.76 Å) V–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent V and eight Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with twelve equivalent PdV4Pd8 cuboctahedra, edges with eight equivalent VPd12 cuboctahedra, edges with sixteen PdV4Pd8 cuboctahedra, faces with four equivalent VPd12 cuboctahedra, and faces with fourteen PdV4Pd8 cuboctahedra. There are four shorter (2.74 Å) and four longer (2.76 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent V and eight equivalent Pd atoms to form distorted PdV4Pd8 cuboctahedra that share corners with four equivalent PdV4Pd8 cuboctahedra, corners with eight equivalent VPd12 cuboctahedra, edges with twenty-four PdV4Pd8 cuboctahedra, faces with six equivalent VPd12 cuboctahedra, and faces with twelve PdV4Pd8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPd3 by Materials Project

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.

36 MATERIALS SCIENCE↗