Materials Data on BaCuSb by Materials Project
BaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form a mixture of edge, face, and corner-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ba–Sb bond lengths are 3.59 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.67 Å. Sb3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Cu1+ atoms.
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