The compound described by ErMoO4F crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a distorted 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 distorted trigonal planar geometry to two equivalent Er(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Er(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Mo(1) atom. F(1) is bonded in a distorted water-like geometry to two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_ErMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.369
_cell_length_b   5.236
_cell_length_c   6.683
_cell_angle_alpha   66.668
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.418
_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
  Er  Er0  1  0.051  0.361  0.800  1.0
  Er  Er1  1  0.449  0.361  0.300  1.0
  Er  Er2  1  0.949  0.639  0.200  1.0
  Er  Er3  1  0.551  0.639  0.700  1.0
  Mo  Mo4  1  0.144  0.080  0.369  1.0
  Mo  Mo5  1  0.356  0.080  0.869  1.0
  Mo  Mo6  1  0.644  0.920  0.131  1.0
  Mo  Mo7  1  0.856  0.920  0.631  1.0
  O  O8  1  0.935  0.689  0.538  1.0
  O  O9  1  0.847  0.240  0.405  1.0
  O  O10  1  0.721  0.807  0.704  1.0
  O  O11  1  0.435  0.311  0.962  1.0
  O  O12  1  0.347  0.760  0.095  1.0
  O  O13  1  0.065  0.311  0.462  1.0
  O  O14  1  0.221  0.193  0.796  1.0
  O  O15  1  0.565  0.689  0.038  1.0
  O  O16  1  0.779  0.807  0.204  1.0
  O  O17  1  0.931  0.998  0.839  1.0
  O  O18  1  0.569  0.998  0.339  1.0
  O  O19  1  0.431  0.002  0.661  1.0
  O  O20  1  0.153  0.760  0.595  1.0
  O  O21  1  0.069  0.002  0.161  1.0
  O  O22  1  0.279  0.193  0.296  1.0
  O  O23  1  0.653  0.240  0.905  1.0
  F  F24  1  0.402  0.543  0.537  1.0
  F  F25  1  0.902  0.457  0.963  1.0
  F  F26  1  0.098  0.543  0.037  1.0
  F  F27  1  0.598  0.457  0.463  1.0
[/CIF]
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The compound described by ErMoO4F crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a distorted 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 distorted trigonal planar geometry to two equivalent Er(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Er(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Er(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Mo(1) atom. F(1) is bonded in a distorted water-like geometry to two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_ErMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.369
_cell_length_b   5.236
_cell_length_c   6.683
_cell_angle_alpha   66.668
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.418
_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
  Er  Er0  1  0.051  0.361  0.800  1.0
  Er  Er1  1  0.449  0.361  0.300  1.0
  Er  Er2  1  0.949  0.639  0.200  1.0
  Er  Er3  1  0.551  0.639  0.700  1.0
  Mo  Mo4  1  0.144  0.080  0.369  1.0
  Mo  Mo5  1  0.356  0.080  0.869  1.0
  Mo  Mo6  1  0.644  0.920  0.131  1.0
  Mo  Mo7  1  0.856  0.920  0.631  1.0
  O  O8  1  0.935  0.689  0.538  1.0
  O  O9  1  0.847  0.240  0.405  1.0
  O  O10  1  0.721  0.807  0.704  1.0
  O  O11  1  0.435  0.311  0.962  1.0
  O  O12  1  0.347  0.760  0.095  1.0
  O  O13  1  0.065  0.311  0.462  1.0
  O  O14  1  0.221  0.193  0.796  1.0
  O  O15  1  0.565  0.689  0.038  1.0
  O  O16  1  0.779  0.807  0.204  1.0
  O  O17  1  0.931  0.998  0.839  1.0
  O  O18  1  0.569  0.998  0.339  1.0
  O  O19  1  0.431  0.002  0.661  1.0
  O  O20  1  0.153  0.760  0.595  1.0
  O  O21  1  0.069  0.002  0.161  1.0
  O  O22  1  0.279  0.193  0.296  1.0
  O  O23  1  0.653  0.240  0.905  1.0
  F  F24  1  0.402  0.543  0.537  1.0
  F  F25  1  0.902  0.457  0.963  1.0
  F  F26  1  0.098  0.543  0.037  1.0
  F  F27  1  0.598  0.457  0.463  1.0
[/CIF]
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