Materials Data on Ba(NiP2)2 by Materials Project

Abstract

Ba(NiP2)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to sixteen P1- atoms. There are a spread of Ba–P bond distances ranging from 3.31–3.72 Å. Ni1+ is bonded to four P1- atoms to form edge-sharing NiP4 tetrahedra. There are two shorter (2.22 Å) and two longer (2.25 Å) Ni–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Ni1+ atoms. In the second P1- site, P1- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Ni1+ atoms.