Materials Data on TiMo3 by Materials Project
TiMo3 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two TiMo3 sheets oriented in the (0, 0, 1) direction. Ti is bonded in a distorted body-centered cubic geometry to eight Mo atoms. There are four shorter (2.73 Å) and four longer (2.79 Å) Ti–Mo bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to two equivalent Ti atoms. In the second Mo site, Mo is bonded in a 8-coordinate geometry to four equivalent Ti atoms.
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