Materials Data on MgCuP by Materials Project
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.