Materials Data on InTeO3F by Materials Project
InTeO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. In3+ is bonded to five O2- and one F1- atom to form corner-sharing InO5F octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There are a spread of In–O bond distances ranging from 2.15–2.29 Å. The In–F bond length is 2.24 Å. Te4+ is bonded in a 6-coordinate geometry to four O2- and two equivalent F1- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.70 Å. There are one shorter (2.29 Å) and one longer (2.89 Å) Te–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one Te4+ atom. F1- is bonded in a 2-coordinate geometry to one In3+ and two equivalent Te4+ atoms.