The material structure described by YMo2O7F crystallizes in the monoclinic P2/c space group. Y(1) is bonded to one O(4), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form corner-sharing YO5F2 pentagonal bipyramids. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. F(1) is bonded in a linear geometry to two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_YMo2O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.660
_cell_length_b   4.359
_cell_length_c   11.545
_cell_angle_alpha   89.491
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.158
_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
  Y  Y0  1  0.799  0.000  0.750  1.0
  Y  Y1  1  0.201  0.000  0.250  1.0
  Mo  Mo2  1  0.331  0.903  0.594  1.0
  Mo  Mo3  1  0.331  0.097  0.906  1.0
  Mo  Mo4  1  0.669  0.097  0.406  1.0
  Mo  Mo5  1  0.669  0.903  0.094  1.0
  O  O6  1  0.342  0.506  0.597  1.0
  O  O7  1  0.342  0.494  0.903  1.0
  O  O8  1  0.658  0.494  0.403  1.0
  O  O9  1  0.658  0.506  0.097  1.0
  O  O10  1  0.078  0.983  0.628  1.0
  O  O11  1  0.078  0.017  0.872  1.0
  O  O12  1  0.922  0.017  0.372  1.0
  O  O13  1  0.922  0.983  0.128  1.0
  O  O14  1  0.649  0.999  0.567  1.0
  O  O15  1  0.649  0.001  0.933  1.0
  O  O16  1  0.351  0.001  0.433  1.0
  O  O17  1  0.351  0.999  0.067  1.0
  O  O18  1  0.440  0.000  0.750  1.0
  O  O19  1  0.560  0.000  0.250  1.0
  F  F20  1  0.803  0.500  0.750  1.0
  F  F21  1  0.197  0.500  0.250  1.0
[/CIF]
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The material structure described by YMo2O7F crystallizes in the monoclinic P2/c space group. Y(1) is bonded to one O(4), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form corner-sharing YO5F2 pentagonal bipyramids. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. F(1) is bonded in a linear geometry to two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_YMo2O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.660
_cell_length_b   4.359
_cell_length_c   11.545
_cell_angle_alpha   89.491
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.158
_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
  Y  Y0  1  0.799  0.000  0.750  1.0
  Y  Y1  1  0.201  0.000  0.250  1.0
  Mo  Mo2  1  0.331  0.903  0.594  1.0
  Mo  Mo3  1  0.331  0.097  0.906  1.0
  Mo  Mo4  1  0.669  0.097  0.406  1.0
  Mo  Mo5  1  0.669  0.903  0.094  1.0
  O  O6  1  0.342  0.506  0.597  1.0
  O  O7  1  0.342  0.494  0.903  1.0
  O  O8  1  0.658  0.494  0.403  1.0
  O  O9  1  0.658  0.506  0.097  1.0
  O  O10  1  0.078  0.983  0.628  1.0
  O  O11  1  0.078  0.017  0.872  1.0
  O  O12  1  0.922  0.017  0.372  1.0
  O  O13  1  0.922  0.983  0.128  1.0
  O  O14  1  0.649  0.999  0.567  1.0
  O  O15  1  0.649  0.001  0.933  1.0
  O  O16  1  0.351  0.001  0.433  1.0
  O  O17  1  0.351  0.999  0.067  1.0
  O  O18  1  0.440  0.000  0.750  1.0
  O  O19  1  0.560  0.000  0.250  1.0
  F  F20  1  0.803  0.500  0.750  1.0
  F  F21  1  0.197  0.500  0.250  1.0
[/CIF]
.