Materials Data on TiCrP2 by Materials Project
TiCrP2 is Caswellsilverite-like structured and 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 CrP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent CrP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–P bond lengths are 2.51 Å. Cr2+ is bonded to six equivalent P3- atoms to form CrP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent CrP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cr–P bond lengths are 2.40 Å. P3- is bonded to three equivalent Ti4+ and three equivalent Cr2+ atoms to form a mixture of distorted corner and edge-sharing PTi3Cr3 pentagonal pyramids.
- 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:
- 1680313
- Report Number(s):
- mp-1216841
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TiMoP2 by Materials Project
Materials Data on TiCr2P3 by Materials Project
Materials Data on TiCrAs2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1672693
Materials Data on TiCr2P3 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1710590
Materials Data on TiCrAs2 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1754376