K3TaO2F7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(6), and two equivalent F(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and two equivalent F(6) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(5), and two equivalent F(7) atoms. Ta(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), one Ta(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(3), one Ta(1), and one O(1) atom. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Ta(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Ta(1) atom. In the third F site, F(5) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Ta(1) atom. In the fourth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent K(2) atoms. In the fifth F site, F(7) is bonded to two equivalent K(1) and two equivalent K(3) atoms to form distorted edge-sharing FK4 tetrahedra. In the sixth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one K(3), and one Ta(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Ta(1) atom.
K3TaO2F7 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(3), one F(4), two equivalent F(6), and two equivalent F(7) atoms. The K(1)-F(3) bond length is 3.13 Å. The K(1)-F(4) bond length is 3.13 Å. There is one shorter (2.60 Å) and one longer (3.01 Å) K(1)-F(6) bond length. There is one shorter (2.66 Å) and one longer (2.67 Å) K(1)-F(7) bond length. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and two equivalent F(6) atoms. The K(2)-O(1) bond length is 2.97 Å. The K(2)-F(1) bond length is 2.78 Å. The K(2)-F(2) bond length is 3.06 Å. The K(2)-F(3) bond length is 3.13 Å. The K(2)-F(4) bond length is 2.99 Å. The K(2)-F(5) bond length is 2.84 Å. There is one shorter (2.49 Å) and one longer (2.50 Å) K(2)-F(6) bond length. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(2), one F(1), one F(2), one F(5), and two equivalent F(7) atoms. The K(3)-O(2) bond length is 3.02 Å. The K(3)-F(1) bond length is 2.72 Å. The K(3)-F(2) bond length is 2.92 Å. The K(3)-F(5) bond length is 2.80 Å. There is one shorter (2.48 Å) and one longer (2.50 Å) K(3)-F(7) bond length. Ta(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Ta(1)-O(1) bond length is 2.12 Å. The Ta(1)-O(2) bond length is 2.12 Å. The Ta(1)-F(1) bond length is 1.95 Å. The Ta(1)-F(2) bond length is 1.92 Å. The Ta(1)-F(3) bond length is 1.96 Å. The Ta(1)-F(4) bond length is 1.96 Å. The Ta(1)-F(5) bond length is 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(2), one Ta(1), and one O(2) atom. The O(1)-O(2) bond length is 1.37 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(3), one Ta(1), and one O(1) atom. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Ta(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Ta(1) atom. In the third F site, F(5) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Ta(1) atom. In the fourth F site, F(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent K(2) atoms. In the fifth F site, F(7) is bonded to two equivalent K(1) and two equivalent K(3) atoms to form distorted edge-sharing FK4 tetrahedra. In the sixth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one K(2), one K(3), and one Ta(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Ta(1) atom.