Materials Data on Ti9Se2 by Materials Project
Ti9Se2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se atoms. There are two shorter (2.64 Å) and two longer (2.67 Å) Ti–Se bond lengths. In the second Ti site, Ti is bonded in a distorted L-shaped geometry to two equivalent Ti and two equivalent Se atoms. Both Ti–Ti bond lengths are 2.85 Å. There are one shorter (2.65 Å) and one longer (2.78 Å) Ti–Se bond lengths. In the third Ti site, Ti is bonded in a distorted L-shaped geometry to one Ti and two equivalent Se atoms. The Ti–Ti bond length is 2.92 Å. Both Ti–Se bond lengths are 2.62 Å. In the fourth Ti site, Ti is bonded in a distorted single-bond geometry to two equivalent Ti and one Se atom. Both Ti–Ti bond lengths are 2.73 Å. The Ti–Se bond length is 2.72 Å. In the fifth Ti site, Ti is bonded in a 10-coordinate geometry to ten Ti atoms. Se is bonded in a 9-coordinate geometry to nine Ti atoms.