Materials Data on TiNiH by Materials Project
TiNiH crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TiNiH sheets oriented in the (0, 1, 0) direction. Ti is bonded in a 4-coordinate geometry to three equivalent H atoms. There are two shorter (2.00 Å) and one longer (2.13 Å) Ti–H bond lengths. Ni is bonded in a distorted linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.67 Å. H is bonded to three equivalent Ti and two equivalent Ni atoms to form a mixture of corner and edge-sharing HTi3Ni2 trigonal bipyramids.
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