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Title: Materials Data on MnNiP by Materials Project

Abstract

MnNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn2+ is bonded to five P3- atoms to form distorted MnP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent MnP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are one shorter (2.34 Å) and four longer (2.49 Å) Mn–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent MnP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are two shorter (2.21 Å) and two longer (2.30 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 Mn2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Mn2+ and three equivalent Ni1+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1314795
Report Number(s):
mp-975423
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; MnNiP; Mn-Ni-P

Citation Formats

The Materials Project. Materials Data on MnNiP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314795.
The Materials Project. Materials Data on MnNiP by Materials Project. United States. https://doi.org/10.17188/1314795
The Materials Project. 2020. "Materials Data on MnNiP by Materials Project". United States. https://doi.org/10.17188/1314795. https://www.osti.gov/servlets/purl/1314795.
@article{osti_1314795,
title = {Materials Data on MnNiP by Materials Project},
author = {The Materials Project},
abstractNote = {MnNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn2+ is bonded to five P3- atoms to form distorted MnP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent MnP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are one shorter (2.34 Å) and four longer (2.49 Å) Mn–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent MnP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are two shorter (2.21 Å) and two longer (2.30 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 Mn2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Mn2+ and three equivalent Ni1+ atoms.},
doi = {10.17188/1314795},
url = {https://www.osti.gov/biblio/1314795}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}