TiMnSb crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(1), six equivalent Mn(1), and six equivalent Sb(1) atoms. Mn(1) is bonded to six equivalent Ti(1) and five equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing MnTi6Sb5 trigonal bipyramids. Sb(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1) and five equivalent Mn(1) atoms.
TiMnSb crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 14-coordinate geometry to two equivalent Ti(1), six equivalent Mn(1), and six equivalent Sb(1) atoms. Both Ti(1)-Ti(1) bond lengths are 2.82 Å. All Ti(1)-Mn(1) bond lengths are 2.99 Å. All Ti(1)-Sb(1) bond lengths are 2.99 Å. Mn(1) is bonded to six equivalent Ti(1) and five equivalent Sb(1) atoms to form a mixture of distorted corner and face-sharing MnTi6Sb5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.82 Å) Mn(1)-Sb(1) bond lengths. Sb(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1) and five equivalent Mn(1) atoms.