The crystal structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Mo4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.528
_cell_length_c   14.869
_cell_angle_alpha   102.497
_cell_angle_beta   101.188
_cell_angle_gamma   100.253
_symmetry_Int_Tables_number   1
_cell_volume   765.588
_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
  La  La0  1  0.371  0.423  0.739  1.0
  La  La1  1  0.629  0.577  0.261  1.0
  La  La2  1  0.341  0.845  0.878  1.0
  La  La3  1  0.659  0.155  0.122  1.0
  La  La4  1  0.675  0.049  0.605  1.0
  La  La5  1  0.325  0.951  0.395  1.0
  Mo  Mo6  1  0.239  0.273  0.989  1.0
  Mo  Mo7  1  0.761  0.727  0.011  1.0
  Mo  Mo8  1  0.169  0.904  0.669  1.0
  Mo  Mo9  1  0.831  0.096  0.331  1.0
  Mo  Mo10  1  0.774  0.248  0.828  1.0
  Mo  Mo11  1  0.226  0.752  0.172  1.0
  Mo  Mo12  1  0.206  0.426  0.486  1.0
  Mo  Mo13  1  0.794  0.574  0.514  1.0
  O  O14  1  0.402  0.277  0.061  1.0
  O  O15  1  0.598  0.723  0.939  1.0
  O  O16  1  0.004  0.166  0.062  1.0
  O  O17  1  0.996  0.834  0.938  1.0
  O  O18  1  0.246  0.503  0.919  1.0
  O  O19  1  0.754  0.497  0.081  1.0
  O  O20  1  0.317  0.167  0.892  1.0
  O  O21  1  0.683  0.833  0.108  1.0
  O  O22  1  0.116  0.695  0.759  1.0
  O  O23  1  0.884  0.305  0.241  1.0
  O  O24  1  0.038  0.030  0.361  1.0
  O  O25  1  0.962  0.970  0.639  1.0
  O  O26  1  0.342  0.888  0.567  1.0
  O  O27  1  0.658  0.112  0.433  1.0
  O  O28  1  0.314  0.070  0.715  1.0
  O  O29  1  0.686  0.930  0.285  1.0
  O  O30  1  0.679  0.448  0.799  1.0
  O  O31  1  0.321  0.552  0.201  1.0
  O  O32  1  0.028  0.297  0.785  1.0
  O  O33  1  0.972  0.703  0.215  1.0
  O  O34  1  0.710  0.155  0.954  1.0
  O  O35  1  0.290  0.845  0.046  1.0
  O  O36  1  0.656  0.075  0.776  1.0
  O  O37  1  0.344  0.925  0.224  1.0
  O  O38  1  0.301  0.239  0.456  1.0
  O  O39  1  0.699  0.761  0.544  1.0
  O  O40  1  0.264  0.447  0.594  1.0
  O  O41  1  0.736  0.553  0.406  1.0
  O  O42  1  0.947  0.326  0.503  1.0
  O  O43  1  0.053  0.674  0.497  1.0
  O  O44  1  0.643  0.378  0.614  1.0
  O  O45  1  0.357  0.622  0.386  1.0
  F  F46  1  0.500  0.247  0.268  1.0
  F  F47  1  0.500  0.753  0.732  1.0
[/CIF]
.
The crystal structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Mo4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.338
_cell_length_b   7.528
_cell_length_c   14.869
_cell_angle_alpha   102.497
_cell_angle_beta   101.188
_cell_angle_gamma   100.253
_symmetry_Int_Tables_number   1
_cell_volume   765.588
_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
  La  La0  1  0.371  0.423  0.739  1.0
  La  La1  1  0.629  0.577  0.261  1.0
  La  La2  1  0.341  0.845  0.878  1.0
  La  La3  1  0.659  0.155  0.122  1.0
  La  La4  1  0.675  0.049  0.605  1.0
  La  La5  1  0.325  0.951  0.395  1.0
  Mo  Mo6  1  0.239  0.273  0.989  1.0
  Mo  Mo7  1  0.761  0.727  0.011  1.0
  Mo  Mo8  1  0.169  0.904  0.669  1.0
  Mo  Mo9  1  0.831  0.096  0.331  1.0
  Mo  Mo10  1  0.774  0.248  0.828  1.0
  Mo  Mo11  1  0.226  0.752  0.172  1.0
  Mo  Mo12  1  0.206  0.426  0.486  1.0
  Mo  Mo13  1  0.794  0.574  0.514  1.0
  O  O14  1  0.402  0.277  0.061  1.0
  O  O15  1  0.598  0.723  0.939  1.0
  O  O16  1  0.004  0.166  0.062  1.0
  O  O17  1  0.996  0.834  0.938  1.0
  O  O18  1  0.246  0.503  0.919  1.0
  O  O19  1  0.754  0.497  0.081  1.0
  O  O20  1  0.317  0.167  0.892  1.0
  O  O21  1  0.683  0.833  0.108  1.0
  O  O22  1  0.116  0.695  0.759  1.0
  O  O23  1  0.884  0.305  0.241  1.0
  O  O24  1  0.038  0.030  0.361  1.0
  O  O25  1  0.962  0.970  0.639  1.0
  O  O26  1  0.342  0.888  0.567  1.0
  O  O27  1  0.658  0.112  0.433  1.0
  O  O28  1  0.314  0.070  0.715  1.0
  O  O29  1  0.686  0.930  0.285  1.0
  O  O30  1  0.679  0.448  0.799  1.0
  O  O31  1  0.321  0.552  0.201  1.0
  O  O32  1  0.028  0.297  0.785  1.0
  O  O33  1  0.972  0.703  0.215  1.0
  O  O34  1  0.710  0.155  0.954  1.0
  O  O35  1  0.290  0.845  0.046  1.0
  O  O36  1  0.656  0.075  0.776  1.0
  O  O37  1  0.344  0.925  0.224  1.0
  O  O38  1  0.301  0.239  0.456  1.0
  O  O39  1  0.699  0.761  0.544  1.0
  O  O40  1  0.264  0.447  0.594  1.0
  O  O41  1  0.736  0.553  0.406  1.0
  O  O42  1  0.947  0.326  0.503  1.0
  O  O43  1  0.053  0.674  0.497  1.0
  O  O44  1  0.643  0.378  0.614  1.0
  O  O45  1  0.357  0.622  0.386  1.0
  F  F46  1  0.500  0.247  0.268  1.0
  F  F47  1  0.500  0.753  0.732  1.0
[/CIF]
.