TiF3 is alpha Rhenium trioxide-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Ti site, Ti(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom.
TiF3 is alpha Rhenium trioxide-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Both Ti(1)-F(1) bond lengths are 1.95 Å. Both Ti(1)-F(2) bond lengths are 2.00 Å. Both Ti(1)-F(3) bond lengths are 1.94 Å. In the second Ti site, Ti(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Both Ti(2)-F(1) bond lengths are 1.99 Å. Both Ti(2)-F(2) bond lengths are 1.93 Å. Both Ti(2)-F(3) bond lengths are 1.99 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom.