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Title: Materials Data on MgCuP by Materials Project

Abstract

MgCuP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five equivalent P3- atoms to form distorted MgP5 trigonal bipyramids that share corners with eight equivalent CuP4 tetrahedra, corners with eight equivalent MgP5 trigonal bipyramids, edges with six equivalent CuP4 tetrahedra, and edges with six equivalent MgP5 trigonal bipyramids. There are a spread of Mg–P bond distances ranging from 2.60–2.77 Å. Cu1+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with eight equivalent CuP4 tetrahedra, corners with eight equivalent MgP5 trigonal bipyramids, edges with two equivalent CuP4 tetrahedra, and edges with six equivalent MgP5 trigonal bipyramids. There are a spread of Cu–P bond distances ranging from 2.40–2.48 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mg2+ and four equivalent Cu1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7352
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; MgCuP; Cu-Mg-P
OSTI Identifier:
1287786
DOI:
10.17188/1287786

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgCuP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287786.
Persson, Kristin, & Project, Materials. Materials Data on MgCuP by Materials Project. United States. doi:10.17188/1287786.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgCuP by Materials Project". United States. doi:10.17188/1287786. https://www.osti.gov/servlets/purl/1287786. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287786,
title = {Materials Data on MgCuP by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgCuP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five equivalent P3- atoms to form distorted MgP5 trigonal bipyramids that share corners with eight equivalent CuP4 tetrahedra, corners with eight equivalent MgP5 trigonal bipyramids, edges with six equivalent CuP4 tetrahedra, and edges with six equivalent MgP5 trigonal bipyramids. There are a spread of Mg–P bond distances ranging from 2.60–2.77 Å. Cu1+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with eight equivalent CuP4 tetrahedra, corners with eight equivalent MgP5 trigonal bipyramids, edges with two equivalent CuP4 tetrahedra, and edges with six equivalent MgP5 trigonal bipyramids. There are a spread of Cu–P bond distances ranging from 2.40–2.48 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Mg2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1287786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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