CsTaCo(OF2)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and one F(4) atom to form distorted CsO3F3 octahedra that share corners with three equivalent Ta(1)O3F3 octahedra, corners with three equivalent Ta(2)O3F3 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 59-72°. In the second Cs site, Cs(2) is bonded to one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CsF5 square pyramids that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(8) atom to form TaO3F3 octahedra that share corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with two equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 18-71°. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(4), one F(3), one F(6), and one F(7) atom to form TaO3F3 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with two equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 18-70°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one F(1), one F(2), one F(4), one F(5), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with three equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 38-72°. In the second Co site, Co(2) is bonded to one O(3), one F(1), one F(2), one F(3), one F(6), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with three equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 38-72°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(2), and one Co(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cs(1), one Ta(2), and one Co(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Cs(1), one Ta(1), and one Co(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Cs(2), one Ta(1), and one Co(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cs(2), one Ta(2), and one Co(2) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Cs(2), one Ta(2), and one Co(1) atom. In the eighth F site, F(8) is bonded in a 2-coordinate geometry to one Cs(2), one Ta(1), and one Co(2) atom.
CsTaCo(OF2)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and one F(4) atom to form distorted CsO3F3 octahedra that share corners with three equivalent Ta(1)O3F3 octahedra, corners with three equivalent Ta(2)O3F3 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 59-72°. The Cs(1)-O(2) bond length is 3.46 Å. The Cs(1)-O(3) bond length is 3.40 Å. The Cs(1)-O(4) bond length is 3.40 Å. The Cs(1)-F(1) bond length is 3.33 Å. The Cs(1)-F(3) bond length is 3.10 Å. The Cs(1)-F(4) bond length is 3.10 Å. In the second Cs site, Cs(2) is bonded to one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form distorted CsF5 square pyramids that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 68-70°. The Cs(2)-F(2) bond length is 3.32 Å. The Cs(2)-F(5) bond length is 3.08 Å. The Cs(2)-F(6) bond length is 3.09 Å. The Cs(2)-F(7) bond length is 3.34 Å. The Cs(2)-F(8) bond length is 3.33 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(8) atom to form TaO3F3 octahedra that share corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with two equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 18-71°. The Ta(1)-O(1) bond length is 1.95 Å. The Ta(1)-O(2) bond length is 1.97 Å. The Ta(1)-O(3) bond length is 1.82 Å. The Ta(1)-F(4) bond length is 2.00 Å. The Ta(1)-F(5) bond length is 2.00 Å. The Ta(1)-F(8) bond length is 2.16 Å. In the second Ta site, Ta(2) is bonded to one O(1), one O(2), one O(4), one F(3), one F(6), and one F(7) atom to form TaO3F3 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with two equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 18-70°. The Ta(2)-O(1) bond length is 1.95 Å. The Ta(2)-O(2) bond length is 1.97 Å. The Ta(2)-O(4) bond length is 1.82 Å. The Ta(2)-F(3) bond length is 2.00 Å. The Ta(2)-F(6) bond length is 2.00 Å. The Ta(2)-F(7) bond length is 2.16 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one F(1), one F(2), one F(4), one F(5), and one F(7) atom to form CoOF5 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(2)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with three equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 38-72°. The Co(1)-O(4) bond length is 1.99 Å. The Co(1)-F(1) bond length is 2.03 Å. The Co(1)-F(2) bond length is 2.01 Å. The Co(1)-F(4) bond length is 2.21 Å. The Co(1)-F(5) bond length is 2.16 Å. The Co(1)-F(7) bond length is 2.07 Å. In the second Co site, Co(2) is bonded to one O(3), one F(1), one F(2), one F(3), one F(6), and one F(8) atom to form CoOF5 octahedra that share corners with two equivalent Ta(1)O3F3 octahedra, corners with two equivalent Ta(2)O3F3 octahedra, corners with two equivalent Co(1)OF5 octahedra, corners with three equivalent Cs(1)O3F3 octahedra, and corners with three equivalent Cs(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 38-72°. The Co(2)-O(3) bond length is 1.99 Å. The Co(2)-F(1) bond length is 2.03 Å. The Co(2)-F(2) bond length is 2.01 Å. The Co(2)-F(3) bond length is 2.21 Å. The Co(2)-F(6) bond length is 2.16 Å. The Co(2)-F(8) bond length is 2.06 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(1), and one Ta(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ta(2), and one Co(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Co(1), and one Co(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Cs(1), one Ta(2), and one Co(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Cs(1), one Ta(1), and one Co(1) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Cs(2), one Ta(1), and one Co(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cs(2), one Ta(2), and one Co(2) atom. In the seventh F site, F(7) is bonded in a 2-coordinate geometry to one Cs(2), one Ta(2), and one Co(1) atom. In the eighth F site, F(8) is bonded in a 2-coordinate geometry to one Cs(2), one Ta(1), and one Co(2) atom.