Materials Data on TiPt3 by Materials Project
Pt3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to twelve equivalent Pt+0.67- atoms to form TiPt12 cuboctahedra that share corners with six equivalent TiPt12 cuboctahedra, corners with twelve equivalent PtTi4Pt8 cuboctahedra, edges with eighteen equivalent PtTi4Pt8 cuboctahedra, faces with eight equivalent TiPt12 cuboctahedra, and faces with twelve equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.81 Å) Ti–Pt bond lengths. Pt+0.67- is bonded to four equivalent Ti2+ and eight equivalent Pt+0.67- atoms to form distorted PtTi4Pt8 cuboctahedra that share corners with four equivalent TiPt12 cuboctahedra, corners with fourteen equivalent PtTi4Pt8 cuboctahedra, edges with six equivalent TiPt12 cuboctahedra, edges with twelve equivalent PtTi4Pt8 cuboctahedra, faces with four equivalent TiPt12 cuboctahedra, and faces with sixteen equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.82 Å) Pt–Pt bond lengths.
- 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:
- 1313782
- Report Number(s):
- mp-972220
- Country of Publication:
- United States
- Language:
- English
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