CsVH12(C2O7)2 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 10-coordinate geometry to two equivalent O(21), two equivalent O(24), two equivalent O(9), and four equivalent O(25) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(21), one O(22), one O(23), one O(24), two equivalent O(26), and two equivalent O(28) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(22), two equivalent O(23), and four equivalent O(27) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(14), one O(15), one O(18), one O(19), one O(2), and one O(3) atom. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one O(13), one O(16), one O(17), one O(20), and one O(4) atom. There are four inequivalent C sites. In the first C site, C(1,5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(21) atom. In the second C site, C(2,6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(22) atom. In the third C site, C(3,7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(23) atom. In the fourth C site, C(4,8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(24) atom. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(9) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. In the seventh H site, H(7) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(12) and one O(4) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(5) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(6) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(8) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(9) atom. In the eighteenth H site, H(18,21) is bonded in a single-bond geometry to one O(10) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(11) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(12) atom. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one O(11) atom. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one O(12) atom. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one O(9) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one H(4), and one H(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(13), and one H(9) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one H(10), one H(14), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one H(11), one H(15), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one H(12), one H(16), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one H(17), one H(24), and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2); one H(6); and two equivalent H(18,21) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(3), one H(19), one H(22), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one H(20), one H(23), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(1,5) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(2,6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(3,7) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(4,8) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1,5) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(2,6) atom. In the twenty-seventh O site, O(27) is bonded in a single-bond geometry to two equivalent Cs(3) and one C(3,7) atom. In the twenty-eighth O site, O(28) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(4,8) atom.
CsVH12(C2O7)2 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 10-coordinate geometry to two equivalent O(21), two equivalent O(24), two equivalent O(9), and four equivalent O(25) atoms. Both Cs(1)-O(21) bond lengths are 3.27 Å. Both Cs(1)-O(24) bond lengths are 3.53 Å. Both Cs(1)-O(9) bond lengths are 3.68 Å. There are two shorter (3.27 Å) and two longer (3.53 Å) Cs(1)-O(25) bond lengths. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(21), one O(22), one O(23), one O(24), two equivalent O(26), and two equivalent O(28) atoms. The Cs(2)-O(10) bond length is 3.68 Å. The Cs(2)-O(12) bond length is 3.68 Å. The Cs(2)-O(21) bond length is 3.53 Å. The Cs(2)-O(22) bond length is 3.27 Å. The Cs(2)-O(23) bond length is 3.53 Å. The Cs(2)-O(24) bond length is 3.27 Å. There is one shorter (3.27 Å) and one longer (3.53 Å) Cs(2)-O(26) bond length. There is one shorter (3.27 Å) and one longer (3.53 Å) Cs(2)-O(28) bond length. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(22), two equivalent O(23), and four equivalent O(27) atoms. Both Cs(3)-O(11) bond lengths are 3.68 Å. Both Cs(3)-O(22) bond lengths are 3.53 Å. Both Cs(3)-O(23) bond lengths are 3.27 Å. There are two shorter (3.27 Å) and two longer (3.53 Å) Cs(3)-O(27) bond lengths. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(14), one O(15), one O(18), one O(19), one O(2), and one O(3) atom. The V(1)-O(14) bond length is 2.06 Å. The V(1)-O(15) bond length is 2.06 Å. The V(1)-O(18) bond length is 2.06 Å. The V(1)-O(19) bond length is 2.06 Å. The V(1)-O(2) bond length is 2.00 Å. The V(1)-O(3) bond length is 2.00 Å. In the second V site, V(2) is bonded in an octahedral geometry to one O(1), one O(13), one O(16), one O(17), one O(20), and one O(4) atom. The V(2)-O(1) bond length is 2.00 Å. The V(2)-O(13) bond length is 2.06 Å. The V(2)-O(16) bond length is 2.06 Å. The V(2)-O(17) bond length is 2.06 Å. The V(2)-O(20) bond length is 2.06 Å. The V(2)-O(4) bond length is 2.00 Å. There are four inequivalent C sites. In the first C site, C(1,5) is bonded in a distorted bent 120 degrees geometry to one O(13) and one O(21) atom. The C(1,5)-O(13) bond length is 1.30 Å. The C(1,5)-O(21) bond length is 1.24 Å. In the second C site, C(2,6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(22) atom. The C(2,6)-O(14) bond length is 1.30 Å. The C(2,6)-O(22) bond length is 1.24 Å. In the third C site, C(3,7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(23) atom. The C(3,7)-O(15) bond length is 1.30 Å. The C(3,7)-O(23) bond length is 1.24 Å. In the fourth C site, C(4,8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(24) atom. The C(4,8)-O(16) bond length is 1.30 Å. The C(4,8)-O(24) bond length is 1.24 Å. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.03 Å. The H(1)-O(5) bond length is 1.55 Å. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. The H(2)-O(2) bond length is 1.03 Å. The H(2)-O(6) bond length is 1.55 Å. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. The H(3)-O(3) bond length is 1.03 Å. The H(3)-O(7) bond length is 1.55 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. The H(4)-O(4) bond length is 1.03 Å. The H(4)-O(8) bond length is 1.55 Å. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(1) and one O(9) atom. The H(5)-O(1) bond length is 1.01 Å. The H(5)-O(9) bond length is 1.63 Å. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. The H(6)-O(10) bond length is 1.63 Å. The H(6)-O(2) bond length is 1.01 Å. In the seventh H site, H(7) is bonded in a distorted linear geometry to one O(11) and one O(3) atom. The H(7)-O(11) bond length is 1.63 Å. The H(7)-O(3) bond length is 1.01 Å. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(12) and one O(4) atom. The H(8)-O(12) bond length is 1.63 Å. The H(8)-O(4) bond length is 1.01 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(5) atom. The H(9)-O(5) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. The H(10)-O(6) bond length is 0.99 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. The H(11)-O(7) bond length is 0.99 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(8) atom. The H(12)-O(8) bond length is 0.99 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(5) atom. The H(13)-O(5) bond length is 0.99 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(6) atom. The H(14)-O(6) bond length is 0.99 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. The H(15)-O(7) bond length is 0.99 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(8) atom. The H(16)-O(8) bond length is 0.99 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(9) atom. The H(17)-O(9) bond length is 0.99 Å. In the eighteenth H site, H(18,21) is bonded in a single-bond geometry to one O(10) atom. The H(18,21)-O(10) bond length is 0.99 Å. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(11) atom. The H(19)-O(11) bond length is 0.99 Å. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(12) atom. The H(20)-O(12) bond length is 0.99 Å. In the twenty-first H site, H(22) is bonded in a single-bond geometry to one O(11) atom. The H(22)-O(11) bond length is 0.99 Å. In the twenty-second H site, H(23) is bonded in a single-bond geometry to one O(12) atom. The H(23)-O(12) bond length is 0.99 Å. In the twenty-third H site, H(24) is bonded in a single-bond geometry to one O(9) atom. The H(24)-O(9) bond length is 0.99 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one H(1), and one H(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one H(2), and one H(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one H(3), and one H(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one H(4), and one H(8) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(13), and one H(9) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one H(10), one H(14), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one H(11), one H(15), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one H(12), one H(16), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one H(17), one H(24), and one H(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2); one H(6); and two equivalent H(18,21) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(3), one H(19), one H(22), and one H(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one H(20), one H(23), and one H(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(1,5) atom. The O(17)-C(1,5) bond length is 1.30 Å. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(2,6) atom. The O(18)-C(2,6) bond length is 1.30 Å. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(3,7) atom. The O(19)-C(3,7) bond length is 1.30 Å. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(4,8) atom. The O(20)-C(4,8) bond length is 1.30 Å. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(1,5) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(2,6) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one Cs(2); one Cs(3); and one C(3,7) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Cs(1); one Cs(2); and one C(4,8) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to two equivalent Cs(1) and one C(1,5) atom. The O(25)-C(1,5) bond length is 1.24 Å. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(2,6) atom. The O(26)-C(2,6) bond length is 1.24 Å. In the twenty-seventh O site, O(27) is bonded in a single-bond geometry to two equivalent Cs(3) and one C(3,7) atom. The O(27)-C(3,7) bond length is 1.24 Å. In the twenty-eighth O site, O(28) is bonded in a single-bond geometry to two equivalent Cs(2) and one C(4,8) atom. The O(28)-C(4,8) bond length is 1.24 Å.