CaTl4C2(O3F)2(Tl)2 crystallizes in the triclinic P1 space group. The structure consists of two 7440-28-0 atoms inside a CaTl4C2(O3F)2 framework. In the CaTl4C2(O3F)2 framework, Ca(1) is bonded in a square pyramidal geometry to one O(2), one O(4), one O(6), one F(1), and one F(2) atom. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(3) atom. In the second Tl site, Tl(3) is bonded in a 2-coordinate geometry to one O(5) and one F(2) atom. In the third Tl site, Tl(5) is bonded in a single-bond geometry to one O(1) atom. In the fourth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(2) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(6), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Tl(3) and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one Tl(6), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Tl(3), and one Tl(6) atom.
CaTl4C2(O3F)2(Tl)2 crystallizes in the triclinic P1 space group. The structure consists of two 7440-28-0 atoms inside a CaTl4C2(O3F)2 framework. In the CaTl4C2(O3F)2 framework, Ca(1) is bonded in a square pyramidal geometry to one O(2), one O(4), one O(6), one F(1), and one F(2) atom. The Ca(1)-O(2) bond length is 2.32 Å. The Ca(1)-O(4) bond length is 2.40 Å. The Ca(1)-O(6) bond length is 2.37 Å. The Ca(1)-F(1) bond length is 2.20 Å. The Ca(1)-F(2) bond length is 2.27 Å. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(3) atom. The Tl(1)-O(3) bond length is 2.70 Å. In the second Tl site, Tl(3) is bonded in a 2-coordinate geometry to one O(5) and one F(2) atom. The Tl(3)-O(5) bond length is 2.65 Å. The Tl(3)-F(2) bond length is 2.75 Å. In the third Tl site, Tl(5) is bonded in a single-bond geometry to one O(1) atom. The Tl(5)-O(1) bond length is 2.72 Å. In the fourth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(6), and one F(2) atom. The Tl(6)-O(1) bond length is 2.62 Å. The Tl(6)-O(6) bond length is 2.77 Å. The Tl(6)-F(2) bond length is 2.52 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(3) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.30 Å. The C(2)-O(5) bond length is 1.30 Å. The C(2)-O(6) bond length is 1.30 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(6), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Tl(3) and one C(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one Tl(6), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ca(1), one Tl(3), and one Tl(6) atom.