Materials Data on BaCuP by Materials Project
BaCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent P3- atoms to form a mixture of distorted corner, edge, and face-sharing BaP6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ba–P bond lengths are 3.36 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.44 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Cu1+ atoms.
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