KMoO4 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 one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), 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 5-coordinate geometry to one O(3), one O(5), one O(7), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one K(1) and one K(2) atom.
KMoO4 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 one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. The K(1)-O(4) bond length is 2.76 Å. The K(1)-O(6) bond length is 2.80 Å. The K(1)-O(7) bond length is 2.70 Å. The K(1)-O(8) bond length is 2.91 Å. There is one shorter (2.80 Å) and one longer (2.82 Å) K(1)-O(5) bond length. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. The K(2)-O(2) bond length is 2.87 Å. The K(2)-O(3) bond length is 2.83 Å. The K(2)-O(5) bond length is 3.05 Å. The K(2)-O(6) bond length is 2.66 Å. The K(2)-O(8) bond length is 2.96 Å. There is one shorter (2.84 Å) and one longer (3.20 Å) K(2)-O(4) bond length. There is one shorter (2.95 Å) and one longer (3.03 Å) K(2)-O(7) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), and two equivalent O(1) atoms. The Mo(1)-O(3) bond length is 1.85 Å. The Mo(1)-O(5) bond length is 1.77 Å. The Mo(1)-O(7) bond length is 1.76 Å. There is one shorter (2.03 Å) and one longer (2.10 Å) Mo(1)-O(1) bond length. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(6), and two equivalent O(2) atoms. The Mo(2)-O(1) bond length is 2.12 Å. The Mo(2)-O(3) bond length is 2.18 Å. The Mo(2)-O(4) bond length is 1.78 Å. The Mo(2)-O(6) bond length is 1.76 Å. There is one shorter (1.84 Å) and one longer (2.36 Å) Mo(2)-O(2) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one K(1) and one K(2) atom.