Materials Data on TiAs3 by Materials Project
TiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of face and corner-sharing TiAs12 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.95 Å) Ti–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Ti4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.63 Å.
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