Materials Data on LaNiP by Materials Project
LaNiP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La2+ sites. In the first La2+ site, La2+ is bonded to six equivalent P3- atoms to form a mixture of face, edge, and corner-sharing LaP6 octahedra. All La–P bond lengths are 3.07 Å. In the second La2+ site, La2+ is bonded to six equivalent P3- atoms to form a mixture of distorted face, edge, and corner-sharing LaP6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. All La–P bond lengths are 3.10 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.34 Å. P3- is bonded in a 3-coordinate geometry to six La2+ and three equivalent Ni1+ atoms.
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