Materials Data on MnNiP2 by Materials Project

MnNiP2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded to six P2- atoms to form distorted MnP6 octahedra that share corners with four equivalent MnP6 octahedra, corners with eight equivalent NiP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent NiP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Mn–P bond distances ranging from 2.21–2.34 Å. Ni2+ is bonded to six P2- atoms to form distorted NiP6 octahedra that share corners with four equivalent NiP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with two equivalent NiP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent NiP6 octahedra. The corner-sharing octahedra tilt angles range from 45–58°. There are a spread of Ni–P bond distances ranging from 2.27–2.42 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four equivalent Ni2+ atoms. In the second P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Mn2+ and two equivalent Ni2+ atoms.