K3Mo4O16F crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(5), one O(6), one O(8), and two equivalent O(13) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(8), two equivalent O(3), and one F(1) atom. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(14), one O(6), one O(7), and one O(9) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(4), one O(7), and one F(1) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(8), and two equivalent O(15) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(9) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(15), one O(16), one O(4), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Mo(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one O(12) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(3) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mo(1), one Mo(2), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one O(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mo(3), one Mo(4), and two equivalent Mo(2) atoms. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Mo(4) atom. F(1) is bonded in a bent 150 degrees geometry to one K(2) and one Mo(1) atom.
K3Mo4O16F crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(5), one O(6), one O(8), and two equivalent O(13) atoms. The K(1)-O(10) bond length is 2.80 Å. The K(1)-O(14) bond length is 2.92 Å. The K(1)-O(16) bond length is 2.79 Å. The K(1)-O(5) bond length is 2.89 Å. The K(1)-O(6) bond length is 3.31 Å. The K(1)-O(8) bond length is 2.93 Å. There is one shorter (2.73 Å) and one longer (3.00 Å) K(1)-O(13) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(8), two equivalent O(3), and one F(1) atom. The K(2)-O(11) bond length is 3.01 Å. The K(2)-O(2) bond length is 2.85 Å. The K(2)-O(8) bond length is 2.80 Å. There is one shorter (2.80 Å) and one longer (2.99 Å) K(2)-O(3) bond length. The K(2)-F(1) bond length is 2.60 Å. In the third K site, K(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(14), one O(6), one O(7), and one O(9) atom. The K(3)-O(11) bond length is 2.76 Å. The K(3)-O(13) bond length is 3.00 Å. The K(3)-O(14) bond length is 2.81 Å. The K(3)-O(6) bond length is 3.18 Å. The K(3)-O(7) bond length is 2.71 Å. The K(3)-O(9) bond length is 3.05 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(14), one O(4), one O(7), and one F(1) atom. The Mo(1)-O(1) bond length is 2.16 Å. The Mo(1)-O(10) bond length is 2.35 Å. The Mo(1)-O(14) bond length is 1.76 Å. The Mo(1)-O(4) bond length is 1.96 Å. The Mo(1)-O(7) bond length is 1.73 Å. The Mo(1)-F(1) bond length is 1.98 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(8), and two equivalent O(15) atoms. The Mo(2)-O(1) bond length is 2.19 Å. The Mo(2)-O(10) bond length is 1.90 Å. The Mo(2)-O(2) bond length is 1.79 Å. The Mo(2)-O(8) bond length is 1.74 Å. There is one shorter (1.99 Å) and one longer (2.46 Å) Mo(2)-O(15) bond length. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(9) atom. The Mo(3)-O(1) bond length is 1.93 Å. The Mo(3)-O(11) bond length is 1.75 Å. The Mo(3)-O(15) bond length is 2.27 Å. The Mo(3)-O(2) bond length is 2.45 Å. The Mo(3)-O(3) bond length is 1.76 Å. The Mo(3)-O(9) bond length is 1.95 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(15), one O(16), one O(4), and one O(9) atom. The Mo(4)-O(10) bond length is 2.37 Å. The Mo(4)-O(13) bond length is 1.76 Å. The Mo(4)-O(15) bond length is 2.22 Å. The Mo(4)-O(16) bond length is 1.73 Å. The Mo(4)-O(4) bond length is 1.96 Å. The Mo(4)-O(9) bond length is 2.00 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(2), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(2) and one Mo(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one O(12) atom. The O(6)-O(12) bond length is 1.23 Å. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(3) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one K(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Mo(1), one Mo(2), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one O(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mo(3), one Mo(4), and two equivalent Mo(2) atoms. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Mo(4) atom. F(1) is bonded in a bent 150 degrees geometry to one K(2) and one Mo(1) atom.