Cs2MnO4 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(6), one O(8), two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(4), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(3), one Cs(4), two equivalent Cs(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(3), one Cs(4), two equivalent Cs(2), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Mn(1) atom.
Cs2MnO4 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. The Cs(1)-O(1) bond length is 3.15 Å. The Cs(1)-O(2) bond length is 3.02 Å. The Cs(1)-O(5) bond length is 3.05 Å. The Cs(1)-O(6) bond length is 3.40 Å. The Cs(1)-O(7) bond length is 3.05 Å. The Cs(1)-O(8) bond length is 3.46 Å. There is one shorter (3.34 Å) and one longer (3.36 Å) Cs(1)-O(3) bond length. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. The Cs(2)-O(1) bond length is 3.02 Å. The Cs(2)-O(2) bond length is 3.16 Å. The Cs(2)-O(5) bond length is 3.47 Å. The Cs(2)-O(6) bond length is 3.06 Å. The Cs(2)-O(7) bond length is 3.48 Å. The Cs(2)-O(8) bond length is 3.07 Å. Both Cs(2)-O(4) bond lengths are 3.37 Å. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(6), one O(8), two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. The Cs(3)-O(3) bond length is 2.98 Å. The Cs(3)-O(4) bond length is 3.40 Å. The Cs(3)-O(6) bond length is 3.73 Å. The Cs(3)-O(8) bond length is 3.69 Å. Both Cs(3)-O(1) bond lengths are 3.21 Å. There is one shorter (3.28 Å) and one longer (3.64 Å) Cs(3)-O(5) bond length. There is one shorter (3.30 Å) and one longer (3.65 Å) Cs(3)-O(7) bond length. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(5), one O(7), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. The Cs(4)-O(3) bond length is 3.37 Å. The Cs(4)-O(4) bond length is 2.99 Å. The Cs(4)-O(5) bond length is 3.66 Å. The Cs(4)-O(7) bond length is 3.65 Å. There is one shorter (3.19 Å) and one longer (3.22 Å) Cs(4)-O(2) bond length. There is one shorter (3.23 Å) and one longer (3.69 Å) Cs(4)-O(6) bond length. There is one shorter (3.21 Å) and one longer (3.72 Å) Cs(4)-O(8) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Mn(1)-O(2) bond length is 1.68 Å. The Mn(1)-O(3) bond length is 1.66 Å. The Mn(1)-O(6) bond length is 1.66 Å. The Mn(1)-O(8) bond length is 1.66 Å. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. The Mn(2)-O(1) bond length is 1.68 Å. The Mn(2)-O(4) bond length is 1.66 Å. The Mn(2)-O(5) bond length is 1.66 Å. The Mn(2)-O(7) bond length is 1.66 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(3), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), two equivalent Cs(4), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(3), one Cs(4), two equivalent Cs(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(3), one Cs(4), two equivalent Cs(2), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Mn(1) atom.