Materials Data on TiMnSn4 by Materials Project
TiMnSn4 is Khatyrkite-derived structured and crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to two equivalent Mn and eight Sn atoms. Both Ti–Mn bond lengths are 2.76 Å. There are four shorter (2.83 Å) and four longer (2.87 Å) Ti–Sn bond lengths. Mn is bonded in a 10-coordinate geometry to two equivalent Ti and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.87 Å) Mn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent Mn atoms.
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