Materials Data on Ti4As3 by Materials Project
Ti4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ti+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (2.59 Å) and three longer (2.74 Å) Ti–As bond lengths. As3- is bonded to eight equivalent Ti+2.25+ atoms to form a mixture of distorted face, edge, and corner-sharing AsTi8 hexagonal bipyramids.
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