K3VMo3H4O15 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(9), two equivalent O(10), and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(8), and four equivalent O(9) atoms. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(4), and two equivalent O(7) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one K(3) and one Mo(1) atom. In the second O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Mo(2) atom. In the third O site, O(10) is bonded in a water-like geometry to two equivalent K(2), one H(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one V(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Mo(2) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one K(2), one V(1), and two equivalent Mo(2) atoms. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Mo(1) atom. In the ninth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one Mo(1), and one Mo(2) atom. In the tenth O site, O(7) is bonded to two equivalent V(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted edge-sharing OV2Mo3 square pyramids.
K3VMo3H4O15 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. Both K(1)-O(2) bond lengths are 2.67 Å. Both K(1)-O(5) bond lengths are 3.01 Å. All K(1)-O(3) bond lengths are 2.76 Å. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(9), two equivalent O(10), and two equivalent O(3) atoms. The K(2)-O(2) bond length is 3.08 Å. The K(2)-O(4) bond length is 3.17 Å. The K(2)-O(5) bond length is 3.11 Å. The K(2)-O(6) bond length is 3.03 Å. The K(2)-O(9) bond length is 2.94 Å. There is one shorter (2.89 Å) and one longer (2.90 Å) K(2)-O(10) bond length. There is one shorter (2.93 Å) and one longer (3.13 Å) K(2)-O(3) bond length. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(8), and four equivalent O(9) atoms. Both K(3)-O(5) bond lengths are 3.33 Å. Both K(3)-O(8) bond lengths are 3.12 Å. All K(3)-O(9) bond lengths are 2.96 Å. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(4), and two equivalent O(7) atoms. The V(1)-O(1) bond length is 1.76 Å. The V(1)-O(2) bond length is 1.65 Å. Both V(1)-O(4) bond lengths are 1.94 Å. There is one shorter (2.12 Å) and one longer (2.42 Å) V(1)-O(7) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(7), one O(8), and two equivalent O(6) atoms. The Mo(1)-O(1) bond length is 2.23 Å. The Mo(1)-O(5) bond length is 1.77 Å. The Mo(1)-O(7) bond length is 2.50 Å. The Mo(1)-O(8) bond length is 1.74 Å. Both Mo(1)-O(6) bond lengths are 1.95 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms. The Mo(2)-O(3) bond length is 1.75 Å. The Mo(2)-O(6) bond length is 1.93 Å. The Mo(2)-O(7) bond length is 2.30 Å. The Mo(2)-O(9) bond length is 1.75 Å. There is one shorter (1.97 Å) and one longer (2.37 Å) Mo(2)-O(4) bond length. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.98 Å. In the second H site, H(1) is bonded in a single-bond geometry to one O(10) atom. The H(1)-O(10) bond length is 0.99 Å. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a single-bond geometry to one K(3) and one Mo(1) atom. In the second O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Mo(2) atom. In the third O site, O(10) is bonded in a water-like geometry to two equivalent K(2), one H(1), and one H(2) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one V(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Mo(2) atom. In the seventh O site, O(4) is bonded in a 2-coordinate geometry to one K(2), one V(1), and two equivalent Mo(2) atoms. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one K(3), two equivalent K(2), and one Mo(1) atom. In the ninth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(2), one Mo(1), and one Mo(2) atom. In the tenth O site, O(7) is bonded to two equivalent V(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted edge-sharing OV2Mo3 square pyramids.