The compound described by Cs3As5O9 crystallizes in the trigonal P31m space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second As site, As(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one As(1), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one As(2) atom. is represented by the CIF card [CIF]
data_Cs3As5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   6.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   384.122
_cell_formula_units_Z   1
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  0.630  0.630  0.998  1.0
  Cs  Cs1  1  0.000  0.370  0.998  1.0
  Cs  Cs2  1  0.370  0.000  0.998  1.0
  As  As3  1  0.667  0.333  0.468  1.0
  As  As4  1  0.333  0.667  0.468  1.0
  As  As5  1  0.259  0.259  0.502  1.0
  As  As6  1  0.000  0.741  0.502  1.0
  As  As7  1  0.741  0.000  0.502  1.0
  O  O8  1  0.715  0.185  0.625  1.0
  O  O9  1  0.815  0.530  0.625  1.0
  O  O10  1  0.470  0.285  0.625  1.0
  O  O11  1  0.185  0.715  0.625  1.0
  O  O12  1  0.530  0.815  0.625  1.0
  O  O13  1  0.285  0.470  0.625  1.0
  O  O14  1  0.317  0.317  0.236  1.0
  O  O15  1  0.000  0.683  0.236  1.0
  O  O16  1  0.683  0.000  0.236  1.0
[/CIF]
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The compound described by Cs3As5O9 crystallizes in the trigonal P31m space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second As site, As(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one As(1), and one As(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one As(2) atom. is represented by the CIF card [CIF]
data_Cs3As5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.549
_cell_length_b   8.549
_cell_length_c   6.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   384.122
_cell_formula_units_Z   1
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  0.630  0.630  0.998  1.0
  Cs  Cs1  1  0.000  0.370  0.998  1.0
  Cs  Cs2  1  0.370  0.000  0.998  1.0
  As  As3  1  0.667  0.333  0.468  1.0
  As  As4  1  0.333  0.667  0.468  1.0
  As  As5  1  0.259  0.259  0.502  1.0
  As  As6  1  0.000  0.741  0.502  1.0
  As  As7  1  0.741  0.000  0.502  1.0
  O  O8  1  0.715  0.185  0.625  1.0
  O  O9  1  0.815  0.530  0.625  1.0
  O  O10  1  0.470  0.285  0.625  1.0
  O  O11  1  0.185  0.715  0.625  1.0
  O  O12  1  0.530  0.815  0.625  1.0
  O  O13  1  0.285  0.470  0.625  1.0
  O  O14  1  0.317  0.317  0.236  1.0
  O  O15  1  0.000  0.683  0.236  1.0
  O  O16  1  0.683  0.000  0.236  1.0
[/CIF]
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