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Title: Materials Data on NiMoP by Materials Project

Abstract

NiMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mo2+ is bonded to five P3- atoms to form distorted MoP5 square pyramids that share corners with ten equivalent MoP5 square pyramids, corners with six equivalent NiP4 tetrahedra, edges with six equivalent MoP5 square pyramids, and edges with six equivalent NiP4 tetrahedra. There are one shorter (2.42 Å) and four longer (2.57 Å) Mo–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with six equivalent MoP5 square pyramids, corners with ten equivalent NiP4 tetrahedra, edges with six equivalent MoP5 square pyramids, and edges with two equivalent NiP4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.38 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Mo2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Mo2+ and three equivalent Ni1+ atoms.

Publication Date:
Other Number(s):
mp-7632
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NiMoP; Mo-Ni-P
OSTI Identifier:
1293294
DOI:
https://doi.org/10.17188/1293294

Citation Formats

The Materials Project. Materials Data on NiMoP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293294.
The Materials Project. Materials Data on NiMoP by Materials Project. United States. doi:https://doi.org/10.17188/1293294
The Materials Project. 2020. "Materials Data on NiMoP by Materials Project". United States. doi:https://doi.org/10.17188/1293294. https://www.osti.gov/servlets/purl/1293294. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1293294,
title = {Materials Data on NiMoP by Materials Project},
author = {The Materials Project},
abstractNote = {NiMoP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mo2+ is bonded to five P3- atoms to form distorted MoP5 square pyramids that share corners with ten equivalent MoP5 square pyramids, corners with six equivalent NiP4 tetrahedra, edges with six equivalent MoP5 square pyramids, and edges with six equivalent NiP4 tetrahedra. There are one shorter (2.42 Å) and four longer (2.57 Å) Mo–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with six equivalent MoP5 square pyramids, corners with ten equivalent NiP4 tetrahedra, edges with six equivalent MoP5 square pyramids, and edges with two equivalent NiP4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.38 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Mo2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Mo2+ and three equivalent Ni1+ atoms.},
doi = {10.17188/1293294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}