The compound described by CsAsO3 crystallizes in the orthorhombic Pbcm space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AsO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_CsAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.332
_cell_length_b   6.056
_cell_length_c   11.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.396
_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  0.750  0.044  0.609  1.0
  Cs  Cs1  1  0.250  0.044  0.891  1.0
  Cs  Cs2  1  0.250  0.956  0.391  1.0
  Cs  Cs3  1  0.750  0.956  0.109  1.0
  As  As4  1  0.250  0.477  0.162  1.0
  As  As5  1  0.750  0.477  0.338  1.0
  As  As6  1  0.250  0.523  0.662  1.0
  As  As7  1  0.750  0.523  0.838  1.0
  O  O8  1  0.250  0.205  0.153  1.0
  O  O9  1  0.750  0.205  0.347  1.0
  O  O10  1  0.250  0.352  0.554  1.0
  O  O11  1  0.750  0.352  0.946  1.0
  O  O12  1  0.500  0.427  0.750  1.0
  O  O13  1  0.000  0.427  0.750  1.0
  O  O14  1  0.500  0.573  0.250  1.0
  O  O15  1  0.000  0.573  0.250  1.0
  O  O16  1  0.250  0.648  0.054  1.0
  O  O17  1  0.750  0.648  0.446  1.0
  O  O18  1  0.250  0.795  0.653  1.0
  O  O19  1  0.750  0.795  0.847  1.0
[/CIF]
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The compound described by CsAsO3 crystallizes in the orthorhombic Pbcm space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. As(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form corner-sharing AsO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Cs(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1) and two equivalent As(1) atoms. is represented by the CIF card [CIF]
data_CsAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.332
_cell_length_b   6.056
_cell_length_c   11.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.396
_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  0.750  0.044  0.609  1.0
  Cs  Cs1  1  0.250  0.044  0.891  1.0
  Cs  Cs2  1  0.250  0.956  0.391  1.0
  Cs  Cs3  1  0.750  0.956  0.109  1.0
  As  As4  1  0.250  0.477  0.162  1.0
  As  As5  1  0.750  0.477  0.338  1.0
  As  As6  1  0.250  0.523  0.662  1.0
  As  As7  1  0.750  0.523  0.838  1.0
  O  O8  1  0.250  0.205  0.153  1.0
  O  O9  1  0.750  0.205  0.347  1.0
  O  O10  1  0.250  0.352  0.554  1.0
  O  O11  1  0.750  0.352  0.946  1.0
  O  O12  1  0.500  0.427  0.750  1.0
  O  O13  1  0.000  0.427  0.750  1.0
  O  O14  1  0.500  0.573  0.250  1.0
  O  O15  1  0.000  0.573  0.250  1.0
  O  O16  1  0.250  0.648  0.054  1.0
  O  O17  1  0.750  0.648  0.446  1.0
  O  O18  1  0.250  0.795  0.653  1.0
  O  O19  1  0.750  0.795  0.847  1.0
[/CIF]
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