The material described by Cs is beta structured and crystallizes in the cubic P4_132 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a water-like geometry to two equivalent Cs(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.615
_cell_length_b   13.615
_cell_length_c   13.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2523.920
_cell_formula_units_Z   20
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  0.875  0.704  0.046  1.0
  Cs  Cs1  1  0.062  0.062  0.062  1.0
  Cs  Cs2  1  0.204  0.454  0.125  1.0
  Cs  Cs3  1  0.812  0.312  0.188  1.0
  Cs  Cs4  1  0.454  0.125  0.204  1.0
  Cs  Cs5  1  0.546  0.625  0.296  1.0
  Cs  Cs6  1  0.188  0.812  0.312  1.0
  Cs  Cs7  1  0.796  0.954  0.375  1.0
  Cs  Cs8  1  0.938  0.562  0.438  1.0
  Cs  Cs9  1  0.125  0.204  0.454  1.0
  Cs  Cs10  1  0.625  0.296  0.546  1.0
  Cs  Cs11  1  0.438  0.938  0.562  1.0
  Cs  Cs12  1  0.296  0.546  0.625  1.0
  Cs  Cs13  1  0.688  0.688  0.688  1.0
  Cs  Cs14  1  0.046  0.875  0.704  1.0
  Cs  Cs15  1  0.954  0.375  0.796  1.0
  Cs  Cs16  1  0.312  0.188  0.812  1.0
  Cs  Cs17  1  0.704  0.046  0.875  1.0
  Cs  Cs18  1  0.562  0.438  0.938  1.0
  Cs  Cs19  1  0.375  0.796  0.954  1.0
[/CIF]
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The material described by Cs is beta structured and crystallizes in the cubic P4_132 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a water-like geometry to two equivalent Cs(2) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Cs(2) atoms. is represented by the CIF file [CIF]
data_Cs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.615
_cell_length_b   13.615
_cell_length_c   13.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2523.920
_cell_formula_units_Z   20
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  0.875  0.704  0.046  1.0
  Cs  Cs1  1  0.062  0.062  0.062  1.0
  Cs  Cs2  1  0.204  0.454  0.125  1.0
  Cs  Cs3  1  0.812  0.312  0.188  1.0
  Cs  Cs4  1  0.454  0.125  0.204  1.0
  Cs  Cs5  1  0.546  0.625  0.296  1.0
  Cs  Cs6  1  0.188  0.812  0.312  1.0
  Cs  Cs7  1  0.796  0.954  0.375  1.0
  Cs  Cs8  1  0.938  0.562  0.438  1.0
  Cs  Cs9  1  0.125  0.204  0.454  1.0
  Cs  Cs10  1  0.625  0.296  0.546  1.0
  Cs  Cs11  1  0.438  0.938  0.562  1.0
  Cs  Cs12  1  0.296  0.546  0.625  1.0
  Cs  Cs13  1  0.688  0.688  0.688  1.0
  Cs  Cs14  1  0.046  0.875  0.704  1.0
  Cs  Cs15  1  0.954  0.375  0.796  1.0
  Cs  Cs16  1  0.312  0.188  0.812  1.0
  Cs  Cs17  1  0.704  0.046  0.875  1.0
  Cs  Cs18  1  0.562  0.438  0.938  1.0
  Cs  Cs19  1  0.375  0.796  0.954  1.0
[/CIF]
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