The structure described by Cd2AsO4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms to form distorted CdO4F2 pentagonal pyramids that share corners with two equivalent Cd(2)O4F2 octahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cd(2)O4F2 octahedra, and edges with two equivalent Cd(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-68°. In the second Cd site, Cd(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form distorted CdO4F2 octahedra that share corners with two equivalent Cd(1)O4F2 pentagonal pyramids, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cd(2)O4F2 octahedra, and edges with two equivalent Cd(1)O4F2 pentagonal pyramids. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Cd(2)O4F2 octahedra and corners with four equivalent Cd(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 48-59°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one As(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one As(1) atom. F(1) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form distorted edge-sharing FCd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2AsO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.068
_cell_length_b   8.068
_cell_length_c   10.966
_cell_angle_alpha   62.684
_cell_angle_beta   62.684
_cell_angle_gamma   51.336
_symmetry_Int_Tables_number   1
_cell_volume   479.723
_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
  Cd  Cd0  1  0.792  0.313  0.010  1.0
  Cd  Cd1  1  0.687  0.208  0.490  1.0
  Cd  Cd2  1  0.208  0.687  0.990  1.0
  Cd  Cd3  1  0.313  0.792  0.510  1.0
  Cd  Cd4  1  0.951  0.742  0.349  1.0
  Cd  Cd5  1  0.258  0.049  0.151  1.0
  Cd  Cd6  1  0.049  0.258  0.651  1.0
  Cd  Cd7  1  0.742  0.951  0.849  1.0
  As  As8  1  0.771  0.583  0.193  1.0
  As  As9  1  0.417  0.229  0.307  1.0
  As  As10  1  0.229  0.417  0.807  1.0
  As  As11  1  0.583  0.771  0.693  1.0
  O  O12  1  0.218  0.395  0.422  1.0
  O  O13  1  0.605  0.782  0.078  1.0
  O  O14  1  0.782  0.605  0.578  1.0
  O  O15  1  0.395  0.218  0.922  1.0
  O  O16  1  0.054  0.355  0.815  1.0
  O  O17  1  0.645  0.946  0.685  1.0
  O  O18  1  0.946  0.645  0.185  1.0
  O  O19  1  0.355  0.054  0.315  1.0
  O  O20  1  0.382  0.454  0.636  1.0
  O  O21  1  0.546  0.618  0.864  1.0
  O  O22  1  0.618  0.546  0.364  1.0
  O  O23  1  0.454  0.382  0.136  1.0
  O  O24  1  0.082  0.657  0.857  1.0
  O  O25  1  0.343  0.918  0.643  1.0
  O  O26  1  0.918  0.343  0.143  1.0
  O  O27  1  0.657  0.082  0.357  1.0
  F  F28  1  0.924  0.100  0.611  1.0
  F  F29  1  0.900  0.076  0.889  1.0
  F  F30  1  0.076  0.900  0.389  1.0
  F  F31  1  0.100  0.924  0.111  1.0
[/CIF]
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The structure described by Cd2AsO4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms to form distorted CdO4F2 pentagonal pyramids that share corners with two equivalent Cd(2)O4F2 octahedra, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cd(2)O4F2 octahedra, and edges with two equivalent Cd(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 42-68°. In the second Cd site, Cd(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form distorted CdO4F2 octahedra that share corners with two equivalent Cd(1)O4F2 pentagonal pyramids, corners with four equivalent As(1)O4 tetrahedra, edges with two equivalent Cd(2)O4F2 octahedra, and edges with two equivalent Cd(1)O4F2 pentagonal pyramids. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with four equivalent Cd(2)O4F2 octahedra and corners with four equivalent Cd(1)O4F2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 48-59°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one As(1) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(2) and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one Cd(2), and one As(1) atom. F(1) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form distorted edge-sharing FCd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd2AsO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.068
_cell_length_b   8.068
_cell_length_c   10.966
_cell_angle_alpha   62.684
_cell_angle_beta   62.684
_cell_angle_gamma   51.336
_symmetry_Int_Tables_number   1
_cell_volume   479.723
_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
  Cd  Cd0  1  0.792  0.313  0.010  1.0
  Cd  Cd1  1  0.687  0.208  0.490  1.0
  Cd  Cd2  1  0.208  0.687  0.990  1.0
  Cd  Cd3  1  0.313  0.792  0.510  1.0
  Cd  Cd4  1  0.951  0.742  0.349  1.0
  Cd  Cd5  1  0.258  0.049  0.151  1.0
  Cd  Cd6  1  0.049  0.258  0.651  1.0
  Cd  Cd7  1  0.742  0.951  0.849  1.0
  As  As8  1  0.771  0.583  0.193  1.0
  As  As9  1  0.417  0.229  0.307  1.0
  As  As10  1  0.229  0.417  0.807  1.0
  As  As11  1  0.583  0.771  0.693  1.0
  O  O12  1  0.218  0.395  0.422  1.0
  O  O13  1  0.605  0.782  0.078  1.0
  O  O14  1  0.782  0.605  0.578  1.0
  O  O15  1  0.395  0.218  0.922  1.0
  O  O16  1  0.054  0.355  0.815  1.0
  O  O17  1  0.645  0.946  0.685  1.0
  O  O18  1  0.946  0.645  0.185  1.0
  O  O19  1  0.355  0.054  0.315  1.0
  O  O20  1  0.382  0.454  0.636  1.0
  O  O21  1  0.546  0.618  0.864  1.0
  O  O22  1  0.618  0.546  0.364  1.0
  O  O23  1  0.454  0.382  0.136  1.0
  O  O24  1  0.082  0.657  0.857  1.0
  O  O25  1  0.343  0.918  0.643  1.0
  O  O26  1  0.918  0.343  0.143  1.0
  O  O27  1  0.657  0.082  0.357  1.0
  F  F28  1  0.924  0.100  0.611  1.0
  F  F29  1  0.900  0.076  0.889  1.0
  F  F30  1  0.076  0.900  0.389  1.0
  F  F31  1  0.100  0.924  0.111  1.0
[/CIF]
.