The material structure described by PrMoO4F crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Pr(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Pr(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one Mo(1) atom. F(1) is bonded in a distorted linear geometry to two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   7.082
_cell_length_c   10.178
_cell_angle_alpha   64.068
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.120
_cell_formula_units_Z   4
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
  Pr  Pr0  1  0.629  0.803  0.422  1.0
  Pr  Pr1  1  0.871  0.803  0.922  1.0
  Pr  Pr2  1  0.371  0.197  0.578  1.0
  Pr  Pr3  1  0.129  0.197  0.078  1.0
  Mo  Mo4  1  0.636  0.334  0.835  1.0
  Mo  Mo5  1  0.864  0.334  0.335  1.0
  Mo  Mo6  1  0.364  0.666  0.165  1.0
  Mo  Mo7  1  0.136  0.666  0.665  1.0
  O  O8  1  0.660  0.553  0.873  1.0
  O  O9  1  0.840  0.553  0.373  1.0
  O  O10  1  0.340  0.447  0.127  1.0
  O  O11  1  0.160  0.447  0.627  1.0
  O  O12  1  0.903  0.786  0.589  1.0
  O  O13  1  0.597  0.786  0.089  1.0
  O  O14  1  0.097  0.214  0.411  1.0
  O  O15  1  0.403  0.214  0.911  1.0
  O  O16  1  0.608  0.439  0.637  1.0
  O  O17  1  0.892  0.439  0.137  1.0
  O  O18  1  0.392  0.561  0.363  1.0
  O  O19  1  0.108  0.561  0.863  1.0
  O  O20  1  0.857  0.166  0.919  1.0
  O  O21  1  0.643  0.166  0.419  1.0
  O  O22  1  0.143  0.834  0.081  1.0
  O  O23  1  0.357  0.834  0.581  1.0
  F  F24  1  0.883  0.013  0.261  1.0
  F  F25  1  0.617  0.013  0.761  1.0
  F  F26  1  0.117  0.987  0.739  1.0
  F  F27  1  0.383  0.987  0.239  1.0
[/CIF]
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The material structure described by PrMoO4F crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Pr(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Pr(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pr(1) and one Mo(1) atom. F(1) is bonded in a distorted linear geometry to two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_PrMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   7.082
_cell_length_c   10.178
_cell_angle_alpha   64.068
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.120
_cell_formula_units_Z   4
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
  Pr  Pr0  1  0.629  0.803  0.422  1.0
  Pr  Pr1  1  0.871  0.803  0.922  1.0
  Pr  Pr2  1  0.371  0.197  0.578  1.0
  Pr  Pr3  1  0.129  0.197  0.078  1.0
  Mo  Mo4  1  0.636  0.334  0.835  1.0
  Mo  Mo5  1  0.864  0.334  0.335  1.0
  Mo  Mo6  1  0.364  0.666  0.165  1.0
  Mo  Mo7  1  0.136  0.666  0.665  1.0
  O  O8  1  0.660  0.553  0.873  1.0
  O  O9  1  0.840  0.553  0.373  1.0
  O  O10  1  0.340  0.447  0.127  1.0
  O  O11  1  0.160  0.447  0.627  1.0
  O  O12  1  0.903  0.786  0.589  1.0
  O  O13  1  0.597  0.786  0.089  1.0
  O  O14  1  0.097  0.214  0.411  1.0
  O  O15  1  0.403  0.214  0.911  1.0
  O  O16  1  0.608  0.439  0.637  1.0
  O  O17  1  0.892  0.439  0.137  1.0
  O  O18  1  0.392  0.561  0.363  1.0
  O  O19  1  0.108  0.561  0.863  1.0
  O  O20  1  0.857  0.166  0.919  1.0
  O  O21  1  0.643  0.166  0.419  1.0
  O  O22  1  0.143  0.834  0.081  1.0
  O  O23  1  0.357  0.834  0.581  1.0
  F  F24  1  0.883  0.013  0.261  1.0
  F  F25  1  0.617  0.013  0.761  1.0
  F  F26  1  0.117  0.987  0.739  1.0
  F  F27  1  0.383  0.987  0.239  1.0
[/CIF]
.