The material structure described by 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. is represented by the CIF file [CIF]
data_K3Mo4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   10.555
_cell_length_c   10.871
_cell_angle_alpha   104.543
_cell_angle_beta   98.939
_cell_angle_gamma   104.757
_symmetry_Int_Tables_number   1
_cell_volume   834.965
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.379  0.002  0.667  1.0
  K  K1  1  0.621  0.998  0.333  1.0
  K  K2  1  0.652  0.353  0.032  1.0
  K  K3  1  0.348  0.647  0.968  1.0
  K  K4  1  0.184  0.614  0.356  1.0
  K  K5  1  0.816  0.386  0.644  1.0
  Mo  Mo6  1  0.357  0.256  0.324  1.0
  Mo  Mo7  1  0.643  0.744  0.676  1.0
  Mo  Mo8  1  0.229  0.021  0.013  1.0
  Mo  Mo9  1  0.771  0.979  0.987  1.0
  Mo  Mo10  1  0.096  0.293  0.005  1.0
  Mo  Mo11  1  0.904  0.707  0.995  1.0
  Mo  Mo12  1  0.099  0.936  0.286  1.0
  Mo  Mo13  1  0.901  0.064  0.714  1.0
  O  O14  1  0.212  0.219  0.127  1.0
  O  O15  1  0.788  0.781  0.873  1.0
  O  O16  1  0.838  0.161  0.064  1.0
  O  O17  1  0.162  0.839  0.936  1.0
  O  O18  1  0.716  0.630  0.045  1.0
  O  O19  1  0.284  0.370  0.955  1.0
  O  O20  1  0.139  0.135  0.343  1.0
  O  O21  1  0.861  0.865  0.657  1.0
  O  O22  1  0.100  0.771  0.677  1.0
  O  O23  1  0.900  0.229  0.323  1.0
  O  O24  1  0.566  0.667  0.292  1.0
  O  O25  1  0.434  0.333  0.708  1.0
  O  O26  1  0.321  0.412  0.390  1.0
  O  O27  1  0.679  0.588  0.610  1.0
  O  O28  1  0.405  0.089  0.949  1.0
  O  O29  1  0.595  0.911  0.051  1.0
  O  O30  1  0.082  0.758  0.158  1.0
  O  O31  1  0.918  0.242  0.842  1.0
  O  O32  1  0.324  0.034  0.189  1.0
  O  O33  1  0.676  0.966  0.811  1.0
  O  O34  1  0.052  0.432  0.107  1.0
  O  O35  1  0.948  0.568  0.893  1.0
  O  O36  1  0.310  0.371  0.665  1.0
  O  O37  1  0.690  0.629  0.335  1.0
  O  O38  1  0.734  0.082  0.599  1.0
  O  O39  1  0.266  0.918  0.401  1.0
  O  O40  1  0.505  0.234  0.448  1.0
  O  O41  1  0.495  0.766  0.552  1.0
  O  O42  1  0.036  0.064  0.907  1.0
  O  O43  1  0.964  0.936  0.093  1.0
  O  O44  1  0.094  0.109  0.660  1.0
  O  O45  1  0.906  0.891  0.340  1.0
  F  F46  1  0.553  0.320  0.242  1.0
  F  F47  1  0.447  0.680  0.758  1.0
[/CIF]
.
The material structure described by 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. is represented by the CIF file [CIF]
data_K3Mo4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   10.555
_cell_length_c   10.871
_cell_angle_alpha   104.543
_cell_angle_beta   98.939
_cell_angle_gamma   104.757
_symmetry_Int_Tables_number   1
_cell_volume   834.965
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.379  0.002  0.667  1.0
  K  K1  1  0.621  0.998  0.333  1.0
  K  K2  1  0.652  0.353  0.032  1.0
  K  K3  1  0.348  0.647  0.968  1.0
  K  K4  1  0.184  0.614  0.356  1.0
  K  K5  1  0.816  0.386  0.644  1.0
  Mo  Mo6  1  0.357  0.256  0.324  1.0
  Mo  Mo7  1  0.643  0.744  0.676  1.0
  Mo  Mo8  1  0.229  0.021  0.013  1.0
  Mo  Mo9  1  0.771  0.979  0.987  1.0
  Mo  Mo10  1  0.096  0.293  0.005  1.0
  Mo  Mo11  1  0.904  0.707  0.995  1.0
  Mo  Mo12  1  0.099  0.936  0.286  1.0
  Mo  Mo13  1  0.901  0.064  0.714  1.0
  O  O14  1  0.212  0.219  0.127  1.0
  O  O15  1  0.788  0.781  0.873  1.0
  O  O16  1  0.838  0.161  0.064  1.0
  O  O17  1  0.162  0.839  0.936  1.0
  O  O18  1  0.716  0.630  0.045  1.0
  O  O19  1  0.284  0.370  0.955  1.0
  O  O20  1  0.139  0.135  0.343  1.0
  O  O21  1  0.861  0.865  0.657  1.0
  O  O22  1  0.100  0.771  0.677  1.0
  O  O23  1  0.900  0.229  0.323  1.0
  O  O24  1  0.566  0.667  0.292  1.0
  O  O25  1  0.434  0.333  0.708  1.0
  O  O26  1  0.321  0.412  0.390  1.0
  O  O27  1  0.679  0.588  0.610  1.0
  O  O28  1  0.405  0.089  0.949  1.0
  O  O29  1  0.595  0.911  0.051  1.0
  O  O30  1  0.082  0.758  0.158  1.0
  O  O31  1  0.918  0.242  0.842  1.0
  O  O32  1  0.324  0.034  0.189  1.0
  O  O33  1  0.676  0.966  0.811  1.0
  O  O34  1  0.052  0.432  0.107  1.0
  O  O35  1  0.948  0.568  0.893  1.0
  O  O36  1  0.310  0.371  0.665  1.0
  O  O37  1  0.690  0.629  0.335  1.0
  O  O38  1  0.734  0.082  0.599  1.0
  O  O39  1  0.266  0.918  0.401  1.0
  O  O40  1  0.505  0.234  0.448  1.0
  O  O41  1  0.495  0.766  0.552  1.0
  O  O42  1  0.036  0.064  0.907  1.0
  O  O43  1  0.964  0.936  0.093  1.0
  O  O44  1  0.094  0.109  0.660  1.0
  O  O45  1  0.906  0.891  0.340  1.0
  F  F46  1  0.553  0.320  0.242  1.0
  F  F47  1  0.447  0.680  0.758  1.0
[/CIF]
.