K2Mo3Al(P2O7)4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent P(2), two equivalent O(12), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent O(11), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. In the second Mo site, Mo(2) is bonded in a linear geometry to two equivalent O(13) atoms. Al(1) is bonded in a linear geometry to two equivalent O(14) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one K(2), one O(1), one O(7), and one O(9) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one K(1), one O(10), one O(2), and one O(8) atom. In the third P site, P(3) is bonded in a distorted T-shaped geometry to one O(13), one O(3), and one O(8) atom. In the fourth P site, P(4) is bonded in a 3-coordinate geometry to one O(14), one O(4), and one O(7) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1) and one O(6) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2) and one O(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(1) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Mo(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Al(1) and one P(4) atom.
K2Mo3Al(P2O7)4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent P(2), two equivalent O(12), and two equivalent O(5) atoms. Both K(1)-P(2) bond lengths are 2.33 Å. Both K(1)-O(12) bond lengths are 2.75 Å. Both K(1)-O(5) bond lengths are 2.46 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent O(11), and two equivalent O(6) atoms. Both K(2)-P(1) bond lengths are 2.38 Å. Both K(2)-O(11) bond lengths are 2.65 Å. Both K(2)-O(6) bond lengths are 2.47 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. The Mo(1)-O(3) bond length is 1.43 Å. The Mo(1)-O(4) bond length is 1.33 Å. In the second Mo site, Mo(2) is bonded in a linear geometry to two equivalent O(13) atoms. Both Mo(2)-O(13) bond lengths are 1.65 Å. Al(1) is bonded in a linear geometry to two equivalent O(14) atoms. Both Al(1)-O(14) bond lengths are 1.55 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one K(2), one O(1), one O(7), and one O(9) atom. The P(1)-O(1) bond length is 1.69 Å. The P(1)-O(7) bond length is 1.75 Å. The P(1)-O(9) bond length is 1.37 Å. In the second P site, P(2) is bonded in a 4-coordinate geometry to one K(1), one O(10), one O(2), and one O(8) atom. The P(2)-O(10) bond length is 1.40 Å. The P(2)-O(2) bond length is 1.72 Å. The P(2)-O(8) bond length is 1.81 Å. In the third P site, P(3) is bonded in a distorted T-shaped geometry to one O(13), one O(3), and one O(8) atom. The P(3)-O(13) bond length is 1.52 Å. The P(3)-O(3) bond length is 1.56 Å. The P(3)-O(8) bond length is 1.68 Å. In the fourth P site, P(4) is bonded in a 3-coordinate geometry to one O(14), one O(4), and one O(7) atom. The P(4)-O(14) bond length is 1.36 Å. The P(4)-O(4) bond length is 1.49 Å. The P(4)-O(7) bond length is 1.66 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one K(1) and one O(6) atom. The O(5)-O(6) bond length is 1.82 Å. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one K(2) and one O(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(1) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one Mo(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Al(1) and one P(4) atom.