La3Mo4O16F crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(16), one O(3), one O(8), one O(9), and one F(1) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), two equivalent O(11), and one F(1) atom. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(6), and two equivalent O(7) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one O(15), one O(5), one O(6), one O(7), and one O(8) atom. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(13), one O(14), one O(16), and two equivalent O(15) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one La(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one La(2) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one La(2) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one La(3) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent La(3) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one La(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one La(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one La(1) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent La(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one La(3) and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one La(3) and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one La(1) and one Mo(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(4) atoms. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(1), one La(3), and one Mo(4) atom. F(1) is bonded in an L-shaped geometry to one La(1) and one La(2) atom.
La3Mo4O16F crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(16), one O(3), one O(8), one O(9), and one F(1) atom. The La(1)-O(10) bond length is 2.79 Å. The La(1)-O(14) bond length is 2.21 Å. The La(1)-O(16) bond length is 2.99 Å. The La(1)-O(3) bond length is 2.97 Å. The La(1)-O(8) bond length is 2.54 Å. The La(1)-O(9) bond length is 2.22 Å. The La(1)-F(1) bond length is 2.53 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), two equivalent O(11), and one F(1) atom. The La(2)-O(1) bond length is 2.35 Å. The La(2)-O(2) bond length is 2.84 Å. The La(2)-O(3) bond length is 2.78 Å. The La(2)-O(4) bond length is 2.43 Å. The La(2)-O(5) bond length is 2.12 Å. There is one shorter (2.60 Å) and one longer (3.08 Å) La(2)-O(11) bond length. The La(2)-F(1) bond length is 2.68 Å. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(6), and two equivalent O(7) atoms. The La(3)-O(12) bond length is 2.53 Å. The La(3)-O(13) bond length is 2.21 Å. The La(3)-O(16) bond length is 2.51 Å. The La(3)-O(6) bond length is 2.28 Å. There is one shorter (2.42 Å) and one longer (2.69 Å) La(3)-O(7) bond length. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mo(1)-O(1) bond length is 1.44 Å. The Mo(1)-O(2) bond length is 2.32 Å. The Mo(1)-O(3) bond length is 2.20 Å. The Mo(1)-O(4) bond length is 1.75 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one O(15), one O(5), one O(6), one O(7), and one O(8) atom. The Mo(2)-O(15) bond length is 2.64 Å. The Mo(2)-O(5) bond length is 2.30 Å. The Mo(2)-O(6) bond length is 1.69 Å. The Mo(2)-O(7) bond length is 2.16 Å. The Mo(2)-O(8) bond length is 1.43 Å. In the third Mo site, Mo(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(12), and one O(9) atom. The Mo(3)-O(10) bond length is 2.09 Å. The Mo(3)-O(11) bond length is 2.24 Å. The Mo(3)-O(12) bond length is 1.40 Å. The Mo(3)-O(9) bond length is 1.86 Å. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one O(13), one O(14), one O(16), and two equivalent O(15) atoms. The Mo(4)-O(13) bond length is 1.70 Å. The Mo(4)-O(14) bond length is 1.55 Å. The Mo(4)-O(16) bond length is 2.57 Å. There is one shorter (2.00 Å) and one longer (2.33 Å) Mo(4)-O(15) bond length. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one La(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one La(2) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one La(2) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one La(3) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent La(3) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one La(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one La(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one La(1) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent La(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one La(3) and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one La(3) and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one La(1) and one Mo(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(4) atoms. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(1), one La(3), and one Mo(4) atom. F(1) is bonded in an L-shaped geometry to one La(1) and one La(2) atom.