Materials Data on Ti2ReB2 by Materials Project
Ti2ReB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to four equivalent Re and six equivalent B atoms. All Ti–Re bond lengths are 2.70 Å. There are four shorter (2.38 Å) and two longer (2.39 Å) Ti–B bond lengths. Re is bonded to eight equivalent Ti and four equivalent B atoms to form a mixture of face and corner-sharing ReTi8B4 cuboctahedra. All Re–B bond lengths are 2.42 Å. B is bonded in a 9-coordinate geometry to six equivalent Ti, two equivalent Re, and one B atom. The B–B bond length is 1.82 Å.
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