Materials Data on VPt3 by Materials Project
Pt3V is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V2+ is bonded to twelve Pt+0.67- atoms to form VPt12 cuboctahedra that share corners with four equivalent VPt12 cuboctahedra, corners with eight equivalent PtV4Pt8 cuboctahedra, edges with eight equivalent VPt12 cuboctahedra, edges with sixteen equivalent PtV4Pt8 cuboctahedra, faces with four equivalent VPt12 cuboctahedra, and faces with fourteen PtV4Pt8 cuboctahedra. There are four shorter (2.75 Å) and eight longer (2.78 Å) V–Pt bond lengths. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded to four equivalent V2+ and eight Pt+0.67- atoms to form distorted PtV4Pt8 cuboctahedra that share corners with twelve equivalent PtV4Pt8 cuboctahedra, edges with eight equivalent VPt12 cuboctahedra, edges with sixteen PtV4Pt8 cuboctahedra, faces with four equivalent VPt12 cuboctahedra, and faces with fourteen PtV4Pt8 cuboctahedra. There are four shorter (2.75 Å) and four longer (2.78 Å) Pt–Pt bond lengths. In the second Pt+0.67- site, Pt+0.67- is bonded to four equivalent V2+ and eight equivalent Pt+0.67- atoms to form distorted PtV4Pt8 cuboctahedra that share corners with four equivalent PtV4Pt8 cuboctahedra, corners with eight equivalent VPt12 cuboctahedra, edges with twenty-four PtV4Pt8 cuboctahedra, faces with six equivalent VPt12 cuboctahedra, and faces with twelve PtV4Pt8 cuboctahedra.
- 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:
- 1201300
- Report Number(s):
- mp-2705
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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