Materials Data on TiMnSb by Materials Project
TiMnSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Mn, and six equivalent Sb atoms. Both Ti–Ti bond lengths are 2.82 Å. All Ti–Mn bond lengths are 2.99 Å. All Ti–Sb bond lengths are 2.99 Å. Mn is bonded to six equivalent Ti and five equivalent Sb atoms to form a mixture of distorted face and corner-sharing MnTi6Sb5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.82 Å) Mn–Sb bond lengths. Sb is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Mn atoms.
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