Cr4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one F(2), one F(3), one F(5), and one F(9) atom to form CrO2F4 octahedra that share corners with three equivalent Cr(4)O2F4 octahedra and corners with three equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second Cr site, Cr(2) is bonded to one O(3), one F(1), one F(2), one F(4), one F(7), and one F(9) atom to form CrOF5 octahedra that share corners with three equivalent Cr(1)O2F4 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. In the third Cr site, Cr(3) is bonded to one O(2), one F(1), one F(4), one F(6), one F(7), and one F(8) atom to form CrOF5 octahedra that share corners with three equivalent Cr(4)O2F4 octahedra and corners with three equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one F(3), one F(5), one F(6), and one F(8) atom to form CrO2F4 octahedra that share corners with three equivalent Cr(1)O2F4 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom.
Cr4(OF3)3 crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(3), one F(2), one F(3), one F(5), and one F(9) atom to form CrO2F4 octahedra that share corners with three equivalent Cr(4)O2F4 octahedra and corners with three equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. The Cr(1)-O(1) bond length is 1.77 Å. The Cr(1)-O(3) bond length is 1.74 Å. The Cr(1)-F(2) bond length is 1.95 Å. The Cr(1)-F(3) bond length is 1.96 Å. The Cr(1)-F(5) bond length is 1.93 Å. The Cr(1)-F(9) bond length is 1.95 Å. In the second Cr site, Cr(2) is bonded to one O(3), one F(1), one F(2), one F(4), one F(7), and one F(9) atom to form CrOF5 octahedra that share corners with three equivalent Cr(1)O2F4 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. The Cr(2)-O(3) bond length is 1.90 Å. The Cr(2)-F(1) bond length is 1.94 Å. The Cr(2)-F(2) bond length is 1.96 Å. The Cr(2)-F(4) bond length is 1.95 Å. The Cr(2)-F(7) bond length is 1.95 Å. The Cr(2)-F(9) bond length is 1.95 Å. In the third Cr site, Cr(3) is bonded to one O(2), one F(1), one F(4), one F(6), one F(7), and one F(8) atom to form CrOF5 octahedra that share corners with three equivalent Cr(4)O2F4 octahedra and corners with three equivalent Cr(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. The Cr(3)-O(2) bond length is 1.86 Å. The Cr(3)-F(1) bond length is 1.99 Å. The Cr(3)-F(4) bond length is 1.94 Å. The Cr(3)-F(6) bond length is 1.94 Å. The Cr(3)-F(7) bond length is 1.96 Å. The Cr(3)-F(8) bond length is 1.94 Å. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one F(3), one F(5), one F(6), and one F(8) atom to form CrO2F4 octahedra that share corners with three equivalent Cr(1)O2F4 octahedra and corners with three equivalent Cr(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 25-40°. The Cr(4)-O(1) bond length is 1.87 Å. The Cr(4)-O(2) bond length is 1.79 Å. The Cr(4)-F(3) bond length is 1.95 Å. The Cr(4)-F(5) bond length is 2.02 Å. The Cr(4)-F(6) bond length is 1.95 Å. The Cr(4)-F(8) bond length is 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Cr(3) and one Cr(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(2) atom.