Materials Data on NiMoP8 by Materials Project
MoNiP8 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Mo6+ is bonded in a body-centered cubic geometry to eight P1- atoms. There are two shorter (2.52 Å) and six longer (2.55 Å) Mo–P bond lengths. Ni2+ is bonded to six equivalent P1- atoms to form NiP6 octahedra that share corners with six equivalent PMoP3 tetrahedra. All Ni–P bond lengths are 2.31 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded to one Mo6+ and three equivalent P1- atoms to form distorted PMoP3 tetrahedra that share corners with three equivalent NiP6 octahedra and a cornercorner with one PMoP3 tetrahedra. The corner-sharing octahedral tilt angles are 75°. All P–P bond lengths are 2.25 Å. In the second P1- site, P1- is bonded in a 1-coordinate geometry to one Mo6+, one Ni2+, and two P1- atoms. The P–P bond length is 2.23 Å.
- 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:
- 1273794
- Report Number(s):
- mp-5673
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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