ThF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Th(2) atoms. In the second F site, F(2) is bonded in a linear geometry to one Th(1) and one Th(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Th(2) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Th(1) and one Th(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Th(1) and one Th(2) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Th(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Th(1) and one Th(2) atom.
ThF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Both Th(1)-F(2) bond lengths are 2.38 Å. Both Th(1)-F(4) bond lengths are 2.32 Å. Both Th(1)-F(5) bond lengths are 2.32 Å. Both Th(1)-F(7) bond lengths are 2.33 Å. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and two equivalent F(1) atoms. The Th(2)-F(2) bond length is 2.34 Å. The Th(2)-F(3) bond length is 2.35 Å. The Th(2)-F(4) bond length is 2.32 Å. The Th(2)-F(5) bond length is 2.33 Å. The Th(2)-F(6) bond length is 2.31 Å. The Th(2)-F(7) bond length is 2.35 Å. There is one shorter (2.29 Å) and one longer (2.33 Å) Th(2)-F(1) bond length. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Th(2) atoms. In the second F site, F(2) is bonded in a linear geometry to one Th(1) and one Th(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Th(2) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Th(1) and one Th(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Th(1) and one Th(2) atom. In the sixth F site, F(6) is bonded in a linear geometry to two equivalent Th(2) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Th(1) and one Th(2) atom.