CsNaMoO6 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Na(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Na(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a distorted T-shaped geometry to one Cs(1) and two equivalent Na(1) atoms.
CsNaMoO6 crystallizes in the orthorhombic P2_12_12_1 space group. Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Cs(1)-O(1) bond length is 3.22 Å. The Cs(1)-O(4) bond length is 3.20 Å. The Cs(1)-O(5) bond length is 3.40 Å. The Cs(1)-O(6) bond length is 3.06 Å. There is one shorter (2.93 Å) and one longer (3.02 Å) Cs(1)-O(2) bond length. There is one shorter (3.09 Å) and one longer (3.54 Å) Cs(1)-O(3) bond length. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. Both Na(1)-O(1) bond lengths are 2.35 Å. There is one shorter (2.48 Å) and one longer (2.74 Å) Na(1)-O(5) bond length. There is one shorter (2.38 Å) and one longer (2.90 Å) Na(1)-O(6) bond length. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mo(1)-O(1) bond length is 1.81 Å. The Mo(1)-O(2) bond length is 1.79 Å. The Mo(1)-O(3) bond length is 1.79 Å. The Mo(1)-O(4) bond length is 1.83 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Cs(1) and two equivalent Na(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Na(1), and one Mo(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a distorted T-shaped geometry to one Cs(1) and two equivalent Na(1) atoms.