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Title: Materials Data on MnCoP by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195381· OSTI ID:1195381

CoMnP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent P3- atoms to form distorted MnP5 trigonal bipyramids that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with six equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Mn–P bond distances ranging from 2.41–2.52 Å. Co1+ is bonded to four equivalent P3- atoms to form CoP4 tetrahedra that share corners with eight equivalent CoP4 tetrahedra, corners with eight equivalent MnP5 trigonal bipyramids, edges with two equivalent CoP4 tetrahedra, and edges with six equivalent MnP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.19–2.25 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Co1+ atoms.

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:
1195381
Report Number(s):
mp-20249
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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