Materials Data on TiMoP2 by Materials Project
TiMoP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent P3- atoms to form TiP6 octahedra that share corners with twelve equivalent MoP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent MoP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–P bond lengths are 2.48 Å. Mo2+ is bonded to six equivalent P3- atoms to form MoP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent MoP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mo–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ti4+ and three equivalent Mo2+ atoms.
- 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:
- 1672693
- Report Number(s):
- mp-1216678
- Country of Publication:
- United States
- Language:
- English
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