The structure described by CsAs3O8 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form AsO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra and edges with two equivalent As(1)O6 octahedra. In the second As site, As(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Cs(1) and two equivalent As(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cs(1) and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_CsAs3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   7.272
_cell_length_c   7.632
_cell_angle_alpha   76.861
_cell_angle_beta   76.861
_cell_angle_gamma   107.861
_symmetry_Int_Tables_number   1
_cell_volume   354.382
_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
  Cs  Cs0  1  0.423  0.577  0.750  1.0
  Cs  Cs1  1  0.577  0.423  0.250  1.0
  As  As2  1  0.949  0.295  0.572  1.0
  As  As3  1  0.705  0.051  0.928  1.0
  As  As4  1  0.069  0.931  0.750  1.0
  As  As5  1  0.295  0.949  0.072  1.0
  As  As6  1  0.051  0.705  0.428  1.0
  As  As7  1  0.931  0.069  0.250  1.0
  O  O8  1  0.524  0.177  0.970  1.0
  O  O9  1  0.849  0.869  0.928  1.0
  O  O10  1  0.869  0.849  0.428  1.0
  O  O11  1  0.272  0.954  0.829  1.0
  O  O12  1  0.476  0.823  0.030  1.0
  O  O13  1  0.131  0.151  0.572  1.0
  O  O14  1  0.954  0.272  0.329  1.0
  O  O15  1  0.721  0.071  0.680  1.0
  O  O16  1  0.177  0.524  0.470  1.0
  O  O17  1  0.728  0.046  0.171  1.0
  O  O18  1  0.046  0.728  0.671  1.0
  O  O19  1  0.279  0.929  0.320  1.0
  O  O20  1  0.151  0.131  0.072  1.0
  O  O21  1  0.071  0.721  0.180  1.0
  O  O22  1  0.929  0.279  0.820  1.0
  O  O23  1  0.823  0.476  0.530  1.0
[/CIF]
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The structure described by CsAs3O8 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form AsO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra and edges with two equivalent As(1)O6 octahedra. In the second As site, As(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form corner-sharing AsO4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Cs(1) and two equivalent As(1) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one As(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cs(1) and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_CsAs3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   7.272
_cell_length_c   7.632
_cell_angle_alpha   76.861
_cell_angle_beta   76.861
_cell_angle_gamma   107.861
_symmetry_Int_Tables_number   1
_cell_volume   354.382
_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
  Cs  Cs0  1  0.423  0.577  0.750  1.0
  Cs  Cs1  1  0.577  0.423  0.250  1.0
  As  As2  1  0.949  0.295  0.572  1.0
  As  As3  1  0.705  0.051  0.928  1.0
  As  As4  1  0.069  0.931  0.750  1.0
  As  As5  1  0.295  0.949  0.072  1.0
  As  As6  1  0.051  0.705  0.428  1.0
  As  As7  1  0.931  0.069  0.250  1.0
  O  O8  1  0.524  0.177  0.970  1.0
  O  O9  1  0.849  0.869  0.928  1.0
  O  O10  1  0.869  0.849  0.428  1.0
  O  O11  1  0.272  0.954  0.829  1.0
  O  O12  1  0.476  0.823  0.030  1.0
  O  O13  1  0.131  0.151  0.572  1.0
  O  O14  1  0.954  0.272  0.329  1.0
  O  O15  1  0.721  0.071  0.680  1.0
  O  O16  1  0.177  0.524  0.470  1.0
  O  O17  1  0.728  0.046  0.171  1.0
  O  O18  1  0.046  0.728  0.671  1.0
  O  O19  1  0.279  0.929  0.320  1.0
  O  O20  1  0.151  0.131  0.072  1.0
  O  O21  1  0.071  0.721  0.180  1.0
  O  O22  1  0.929  0.279  0.820  1.0
  O  O23  1  0.823  0.476  0.530  1.0
[/CIF]
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