Cs3Ni3F10Tl crystallizes in the monoclinic C2/m space group. The structure consists of four 7440-28-0 atoms inside a Cs3Ni3F10 framework. In the Cs3Ni3F10 framework, there are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one F(3), one F(6), two equivalent F(5), two equivalent F(7), and four equivalent F(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(4), one F(7), two equivalent F(5), two equivalent F(6), and four equivalent F(2) atoms. In the third Cs site, Cs(3) is bonded in a 11-coordinate geometry to one F(3), one F(6), two equivalent F(5), three equivalent F(4), and four equivalent F(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(5) atoms to form a mixture of face and corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ni site, Ni(2) is bonded to one F(4), one F(6), two equivalent F(2), and two equivalent F(5) atoms to form a mixture of face and corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Ni site, Ni(3) is bonded to two equivalent F(7) and four equivalent F(1) atoms to form face-sharing NiF6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent F(6) and four equivalent F(2) atoms to form face-sharing NiF6 octahedra. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(3), and one Ni(1) atom. In the second F site, F(4) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(3), and one Ni(2) atom. In the third F site, F(5) is bonded in a linear geometry to one Cs(1), one Cs(2), one Cs(3), one Ni(1), and one Ni(2) atom. In the fourth F site, F(6) is bonded to one Cs(1), one Cs(3), two equivalent Cs(2), one Ni(2), and one Ni(4) atom to form distorted FCs4Ni2 octahedra that share corners with three equivalent F(6)Cs4Ni2 octahedra and edges with two equivalent F(7)Cs3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth F site, F(7) is bonded to one Cs(2), two equivalent Cs(1), one Ni(1), and one Ni(3) atom to form distorted FCs3Ni2 square pyramids that share corners with three equivalent F(7)Cs3Ni2 square pyramids and edges with two equivalent F(6)Cs4Ni2 octahedra. In the sixth F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs(1), one Ni(1), and one Ni(3) atom. In the seventh F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), one Ni(2), and one Ni(4) atom.
Cs3Ni3F10Tl crystallizes in the monoclinic C2/m space group. The structure consists of four 7440-28-0 atoms inside a Cs3Ni3F10 framework. In the Cs3Ni3F10 framework, there are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one F(3), one F(6), two equivalent F(5), two equivalent F(7), and four equivalent F(1) atoms. The Cs(1)-F(3) bond length is 2.89 Å. The Cs(1)-F(6) bond length is 3.02 Å. Both Cs(1)-F(5) bond lengths are 3.20 Å. Both Cs(1)-F(7) bond lengths are 3.10 Å. There are two shorter (3.11 Å) and two longer (3.12 Å) Cs(1)-F(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one F(4), one F(7), two equivalent F(5), two equivalent F(6), and four equivalent F(2) atoms. The Cs(2)-F(4) bond length is 2.90 Å. The Cs(2)-F(7) bond length is 3.02 Å. Both Cs(2)-F(5) bond lengths are 3.21 Å. Both Cs(2)-F(6) bond lengths are 3.10 Å. There are two shorter (3.10 Å) and two longer (3.12 Å) Cs(2)-F(2) bond lengths. In the third Cs site, Cs(3) is bonded in a 11-coordinate geometry to one F(3), one F(6), two equivalent F(5), three equivalent F(4), and four equivalent F(2) atoms. The Cs(3)-F(3) bond length is 3.35 Å. The Cs(3)-F(6) bond length is 3.21 Å. Both Cs(3)-F(5) bond lengths are 3.22 Å. There are two shorter (3.12 Å) and one longer (3.61 Å) Cs(3)-F(4) bond length. There are two shorter (3.04 Å) and two longer (3.25 Å) Cs(3)-F(2) bond lengths. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(5) atoms to form a mixture of face and corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Ni(1)-F(3) bond length is 1.95 Å. The Ni(1)-F(7) bond length is 2.12 Å. Both Ni(1)-F(1) bond lengths are 2.09 Å. Both Ni(1)-F(5) bond lengths are 2.04 Å. In the second Ni site, Ni(2) is bonded to one F(4), one F(6), two equivalent F(2), and two equivalent F(5) atoms to form a mixture of face and corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Ni(2)-F(4) bond length is 1.95 Å. The Ni(2)-F(6) bond length is 2.11 Å. Both Ni(2)-F(2) bond lengths are 2.10 Å. Both Ni(2)-F(5) bond lengths are 2.04 Å. In the third Ni site, Ni(3) is bonded to two equivalent F(7) and four equivalent F(1) atoms to form face-sharing NiF6 octahedra. Both Ni(3)-F(7) bond lengths are 2.02 Å. All Ni(3)-F(1) bond lengths are 2.05 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent F(6) and four equivalent F(2) atoms to form face-sharing NiF6 octahedra. Both Ni(4)-F(6) bond lengths are 2.03 Å. All Ni(4)-F(2) bond lengths are 2.03 Å. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(3), and one Ni(1) atom. In the second F site, F(4) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(3), and one Ni(2) atom. In the third F site, F(5) is bonded in a linear geometry to one Cs(1), one Cs(2), one Cs(3), one Ni(1), and one Ni(2) atom. In the fourth F site, F(6) is bonded to one Cs(1), one Cs(3), two equivalent Cs(2), one Ni(2), and one Ni(4) atom to form distorted FCs4Ni2 octahedra that share corners with three equivalent F(6)Cs4Ni2 octahedra and edges with two equivalent F(7)Cs3Ni2 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth F site, F(7) is bonded to one Cs(2), two equivalent Cs(1), one Ni(1), and one Ni(3) atom to form distorted FCs3Ni2 square pyramids that share corners with three equivalent F(7)Cs3Ni2 square pyramids and edges with two equivalent F(6)Cs4Ni2 octahedra. In the sixth F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs(1), one Ni(1), and one Ni(3) atom. In the seventh F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), one Ni(2), and one Ni(4) atom.