The crystal structure described by CsAsOF4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded to one O(1), two equivalent F(1), three equivalent F(2), three equivalent F(3), and three equivalent F(4) atoms to form distorted CsOF11 cuboctahedra that share corners with two equivalent Cs(1)OF11 cuboctahedra, corners with five equivalent As(1)O2F4 octahedra, edges with five equivalent Cs(1)OF11 cuboctahedra,  an edgeedge with one As(1)O2F4 octahedra, faces with two equivalent Cs(1)OF11 cuboctahedra, and faces with two equivalent As(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 14-46°. As(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form AsO2F4 octahedra that share corners with five equivalent Cs(1)OF11 cuboctahedra,  an edgeedge with one Cs(1)OF11 cuboctahedra,  an edgeedge with one As(1)O2F4 octahedra, and faces with two equivalent Cs(1)OF11 cuboctahedra. O(1) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent As(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one As(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   5.123
_cell_length_c   14.136
_cell_angle_alpha   83.903
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.609
_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
  Cs  Cs0  1  0.120  0.400  0.656  1.0
  Cs  Cs1  1  0.380  0.400  0.156  1.0
  Cs  Cs2  1  0.620  0.600  0.844  1.0
  Cs  Cs3  1  0.880  0.600  0.344  1.0
  As  As4  1  0.109  0.968  0.922  1.0
  As  As5  1  0.609  0.032  0.578  1.0
  As  As6  1  0.891  0.032  0.078  1.0
  As  As7  1  0.391  0.968  0.422  1.0
  O  O8  1  0.087  0.206  0.006  1.0
  O  O9  1  0.587  0.794  0.494  1.0
  O  O10  1  0.413  0.206  0.506  1.0
  O  O11  1  0.913  0.794  0.994  1.0
  F  F12  1  0.684  0.200  0.017  1.0
  F  F13  1  0.702  0.849  0.146  1.0
  F  F14  1  0.298  0.151  0.854  1.0
  F  F15  1  0.579  0.127  0.343  1.0
  F  F16  1  0.079  0.873  0.157  1.0
  F  F17  1  0.117  0.724  0.842  1.0
  F  F18  1  0.383  0.724  0.342  1.0
  F  F19  1  0.202  0.151  0.354  1.0
  F  F20  1  0.184  0.800  0.483  1.0
  F  F21  1  0.316  0.800  0.983  1.0
  F  F22  1  0.883  0.276  0.158  1.0
  F  F23  1  0.421  0.873  0.657  1.0
  F  F24  1  0.921  0.127  0.843  1.0
  F  F25  1  0.816  0.200  0.517  1.0
  F  F26  1  0.617  0.276  0.658  1.0
  F  F27  1  0.798  0.849  0.646  1.0
[/CIF]
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The crystal structure described by CsAsOF4 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded to one O(1), two equivalent F(1), three equivalent F(2), three equivalent F(3), and three equivalent F(4) atoms to form distorted CsOF11 cuboctahedra that share corners with two equivalent Cs(1)OF11 cuboctahedra, corners with five equivalent As(1)O2F4 octahedra, edges with five equivalent Cs(1)OF11 cuboctahedra,  an edgeedge with one As(1)O2F4 octahedra, faces with two equivalent Cs(1)OF11 cuboctahedra, and faces with two equivalent As(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 14-46°. As(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form AsO2F4 octahedra that share corners with five equivalent Cs(1)OF11 cuboctahedra,  an edgeedge with one Cs(1)OF11 cuboctahedra,  an edgeedge with one As(1)O2F4 octahedra, and faces with two equivalent Cs(1)OF11 cuboctahedra. O(1) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent As(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one As(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to three equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   5.123
_cell_length_c   14.136
_cell_angle_alpha   83.903
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   466.609
_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
  Cs  Cs0  1  0.120  0.400  0.656  1.0
  Cs  Cs1  1  0.380  0.400  0.156  1.0
  Cs  Cs2  1  0.620  0.600  0.844  1.0
  Cs  Cs3  1  0.880  0.600  0.344  1.0
  As  As4  1  0.109  0.968  0.922  1.0
  As  As5  1  0.609  0.032  0.578  1.0
  As  As6  1  0.891  0.032  0.078  1.0
  As  As7  1  0.391  0.968  0.422  1.0
  O  O8  1  0.087  0.206  0.006  1.0
  O  O9  1  0.587  0.794  0.494  1.0
  O  O10  1  0.413  0.206  0.506  1.0
  O  O11  1  0.913  0.794  0.994  1.0
  F  F12  1  0.684  0.200  0.017  1.0
  F  F13  1  0.702  0.849  0.146  1.0
  F  F14  1  0.298  0.151  0.854  1.0
  F  F15  1  0.579  0.127  0.343  1.0
  F  F16  1  0.079  0.873  0.157  1.0
  F  F17  1  0.117  0.724  0.842  1.0
  F  F18  1  0.383  0.724  0.342  1.0
  F  F19  1  0.202  0.151  0.354  1.0
  F  F20  1  0.184  0.800  0.483  1.0
  F  F21  1  0.316  0.800  0.983  1.0
  F  F22  1  0.883  0.276  0.158  1.0
  F  F23  1  0.421  0.873  0.657  1.0
  F  F24  1  0.921  0.127  0.843  1.0
  F  F25  1  0.816  0.200  0.517  1.0
  F  F26  1  0.617  0.276  0.658  1.0
  F  F27  1  0.798  0.849  0.646  1.0
[/CIF]
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