Materials Data on Ti6P2O by Materials Project
Ti6P2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted single-bond geometry to three equivalent P and one O atom. There are two shorter (2.53 Å) and one longer (2.99 Å) Ti–P bond lengths. The Ti–O bond length is 2.09 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to three equivalent P and two equivalent O atoms. There are two shorter (2.52 Å) and one longer (2.60 Å) Ti–P bond lengths. Both Ti–O bond lengths are 2.16 Å. In the third Ti site, Ti is bonded in a distorted trigonal non-coplanar geometry to three equivalent P atoms. There are two shorter (2.48 Å) and one longer (2.57 Å) Ti–P bond lengths. P is bonded in a 9-coordinate geometry to nine Ti atoms. O is bonded to six Ti atoms to form edge-sharing OTi6 octahedra.