Cs6NiSi2O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(1), one Ni(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), one Ni(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Si(1) atom.
Cs6NiSi2O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (3.16 Å) and one longer (3.22 Å) Cs(1)-O(1) bond length. There is one shorter (3.06 Å) and one longer (3.07 Å) Cs(1)-O(3) bond length. There is one shorter (3.08 Å) and one longer (3.16 Å) Cs(1)-O(4) bond length. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. The Cs(2)-O(3) bond length is 3.08 Å. The Cs(2)-O(4) bond length is 3.09 Å. There is one shorter (3.24 Å) and one longer (3.30 Å) Cs(2)-O(2) bond length. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. The Cs(3)-O(1) bond length is 2.95 Å. The Cs(3)-O(2) bond length is 2.91 Å. There is one shorter (3.17 Å) and one longer (3.18 Å) Cs(3)-O(3) bond length. There is one shorter (3.17 Å) and one longer (3.34 Å) Cs(3)-O(4) bond length. Ni(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Ni(1)-O(1) bond lengths are 1.93 Å. Both Ni(1)-O(2) bond lengths are 1.93 Å. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Si(1)-O(1) bond length is 1.69 Å. The Si(1)-O(2) bond length is 1.69 Å. The Si(1)-O(3) bond length is 1.64 Å. The Si(1)-O(4) bond length is 1.64 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(1), one Ni(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), one Ni(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one Si(1) atom.