Pb5Ti3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. In the second Ti site, Ti(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Ti(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Ti(2) and one Pb(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(1) atom.
Pb5Ti3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. The Ti(1)-F(1) bond length is 1.99 Å. The Ti(1)-F(3) bond length is 1.91 Å. Both Ti(1)-F(2) bond lengths are 2.02 Å. Both Ti(1)-F(7) bond lengths are 2.03 Å. In the second Ti site, Ti(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedra are not tilted. There is one shorter (1.96 Å) and one longer (1.97 Å) Ti(2)-F(5) bond length. All Ti(2)-F(6) bond lengths are 1.97 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(6), and one F(7) atom. The Pb(1)-F(2) bond length is 2.39 Å. The Pb(1)-F(3) bond length is 2.72 Å. The Pb(1)-F(4) bond length is 2.41 Å. The Pb(1)-F(6) bond length is 2.66 Å. The Pb(1)-F(7) bond length is 2.41 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. Both Pb(2)-F(4) bond lengths are 2.54 Å. There are two shorter (2.47 Å) and two longer (2.52 Å) Pb(2)-F(1) bond lengths. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Ti(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Ti(2) and one Pb(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(1) atom.