Cs3Rb5(SeO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(10), two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), one O(8), two equivalent O(10), two equivalent O(11), two equivalent O(12), and two equivalent O(6) atoms. There are five inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(3), one O(7), two equivalent O(11), two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(11), two equivalent O(12), and two equivalent O(3) atoms. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(11), two equivalent O(12), and two equivalent O(4) atoms. In the fourth Rb site, Rb(4) is bonded in a 9-coordinate geometry to one O(3), one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. In the fifth Rb site, Rb(5) is bonded in a 9-coordinate geometry to one O(4), one O(7), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(9) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(5), and two equivalent O(9) atoms. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(10) atoms. In the third Se site, Se(3) is bonded in a tetrahedral geometry to one O(3), one O(7), and two equivalent O(11) atoms. In the fourth Se site, Se(4) is bonded in a tetrahedral geometry to one O(4), one O(8), and two equivalent O(12) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cs(2), one Rb(2), two equivalent Rb(4), and one Se(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), one Rb(3), two equivalent Rb(5), and one Se(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(4), two equivalent Rb(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Cs(3), one Rb(5), two equivalent Rb(3), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), one Rb(2), one Rb(3), two equivalent Rb(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), one Rb(2), one Rb(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one Rb(1), one Rb(4), one Rb(5), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), one Rb(4), one Rb(5), and one Se(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Rb(1), one Rb(4), one Rb(5), and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Rb(4), one Rb(5), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Rb(1), one Rb(2), one Rb(3), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Rb(1), one Rb(2), one Rb(3), and one Se(4) atom.
Cs3Rb5(SeO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2), one O(6), two equivalent O(10), two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms. The Cs(1)-O(2) bond length is 2.98 Å. The Cs(1)-O(6) bond length is 3.57 Å. Both Cs(1)-O(10) bond lengths are 3.51 Å. Both Cs(1)-O(12) bond lengths are 3.27 Å. Both Cs(1)-O(8) bond lengths are 3.24 Å. Both Cs(1)-O(9) bond lengths are 3.40 Å. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(7), and two equivalent O(9) atoms. The Cs(2)-O(1) bond length is 2.98 Å. The Cs(2)-O(5) bond length is 3.57 Å. Both Cs(2)-O(10) bond lengths are 3.39 Å. Both Cs(2)-O(11) bond lengths are 3.26 Å. Both Cs(2)-O(7) bond lengths are 3.24 Å. Both Cs(2)-O(9) bond lengths are 3.50 Å. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(4), one O(8), two equivalent O(10), two equivalent O(11), two equivalent O(12), and two equivalent O(6) atoms. The Cs(3)-O(4) bond length is 2.98 Å. The Cs(3)-O(8) bond length is 3.57 Å. Both Cs(3)-O(10) bond lengths are 3.26 Å. Both Cs(3)-O(11) bond lengths are 3.39 Å. Both Cs(3)-O(12) bond lengths are 3.51 Å. Both Cs(3)-O(6) bond lengths are 3.24 Å. There are five inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(3), one O(7), two equivalent O(11), two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms. The Rb(1)-O(3) bond length is 2.96 Å. The Rb(1)-O(7) bond length is 3.58 Å. Both Rb(1)-O(11) bond lengths are 3.52 Å. Both Rb(1)-O(12) bond lengths are 3.38 Å. Both Rb(1)-O(5) bond lengths are 3.23 Å. Both Rb(1)-O(9) bond lengths are 3.23 Å. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(11), two equivalent O(12), and two equivalent O(3) atoms. The Rb(2)-O(1) bond length is 3.22 Å. The Rb(2)-O(5) bond length is 3.01 Å. The Rb(2)-O(6) bond length is 3.08 Å. Both Rb(2)-O(11) bond lengths are 3.11 Å. Both Rb(2)-O(12) bond lengths are 3.01 Å. Both Rb(2)-O(3) bond lengths are 3.51 Å. In the third Rb site, Rb(3) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(11), two equivalent O(12), and two equivalent O(4) atoms. The Rb(3)-O(2) bond length is 3.23 Å. The Rb(3)-O(5) bond length is 3.07 Å. The Rb(3)-O(6) bond length is 3.02 Å. Both Rb(3)-O(11) bond lengths are 3.01 Å. Both Rb(3)-O(12) bond lengths are 3.10 Å. Both Rb(3)-O(4) bond lengths are 3.51 Å. In the fourth Rb site, Rb(4) is bonded in a 9-coordinate geometry to one O(3), one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. The Rb(4)-O(3) bond length is 3.22 Å. The Rb(4)-O(7) bond length is 3.02 Å. The Rb(4)-O(8) bond length is 3.09 Å. Both Rb(4)-O(1) bond lengths are 3.51 Å. Both Rb(4)-O(10) bond lengths are 3.02 Å. Both Rb(4)-O(9) bond lengths are 3.10 Å. In the fifth Rb site, Rb(5) is bonded in a 9-coordinate geometry to one O(4), one O(7), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(9) atoms. The Rb(5)-O(4) bond length is 3.23 Å. The Rb(5)-O(7) bond length is 3.08 Å. The Rb(5)-O(8) bond length is 3.02 Å. Both Rb(5)-O(10) bond lengths are 3.10 Å. Both Rb(5)-O(2) bond lengths are 3.51 Å. Both Rb(5)-O(9) bond lengths are 3.02 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a tetrahedral geometry to one O(1), one O(5), and two equivalent O(9) atoms. The Se(1)-O(1) bond length is 1.67 Å. The Se(1)-O(5) bond length is 1.68 Å. Both Se(1)-O(9) bond lengths are 1.68 Å. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(2), one O(6), and two equivalent O(10) atoms. The Se(2)-O(2) bond length is 1.67 Å. The Se(2)-O(6) bond length is 1.68 Å. Both Se(2)-O(10) bond lengths are 1.68 Å. In the third Se site, Se(3) is bonded in a tetrahedral geometry to one O(3), one O(7), and two equivalent O(11) atoms. The Se(3)-O(3) bond length is 1.67 Å. The Se(3)-O(7) bond length is 1.68 Å. Both Se(3)-O(11) bond lengths are 1.68 Å. In the fourth Se site, Se(4) is bonded in a tetrahedral geometry to one O(4), one O(8), and two equivalent O(12) atoms. The Se(4)-O(4) bond length is 1.67 Å. The Se(4)-O(8) bond length is 1.68 Å. Both Se(4)-O(12) bond lengths are 1.68 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cs(2), one Rb(2), two equivalent Rb(4), and one Se(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Cs(1), one Rb(3), two equivalent Rb(5), and one Se(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(4), two equivalent Rb(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Cs(3), one Rb(5), two equivalent Rb(3), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(2), one Rb(2), one Rb(3), two equivalent Rb(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), one Rb(2), one Rb(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Cs(2), one Rb(1), one Rb(4), one Rb(5), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), one Rb(4), one Rb(5), and one Se(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Rb(1), one Rb(4), one Rb(5), and one Se(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Rb(4), one Rb(5), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Rb(1), one Rb(2), one Rb(3), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Rb(1), one Rb(2), one Rb(3), and one Se(4) atom.