The compound described by CCs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form distorted edge-sharing CsC5 square pyramids. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), and one C(1) atom. is represented by the CIF file [CIF]
data_CsC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   9.794
_cell_length_c   10.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.494
_cell_formula_units_Z   8
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  0.250  0.984  0.667  1.0
  Cs  Cs1  1  0.250  0.484  0.833  1.0
  Cs  Cs2  1  0.750  0.516  0.167  1.0
  Cs  Cs3  1  0.750  0.157  0.931  1.0
  Cs  Cs4  1  0.750  0.016  0.333  1.0
  Cs  Cs5  1  0.250  0.843  0.069  1.0
  Cs  Cs6  1  0.750  0.657  0.569  1.0
  Cs  Cs7  1  0.250  0.343  0.431  1.0
  C  C8  1  0.750  0.710  0.907  1.0
  C  C9  1  0.250  0.790  0.407  1.0
  C  C10  1  0.250  0.678  0.347  1.0
  C  C11  1  0.750  0.322  0.653  1.0
  C  C12  1  0.250  0.178  0.153  1.0
  C  C13  1  0.750  0.822  0.847  1.0
  C  C14  1  0.250  0.290  0.093  1.0
  C  C15  1  0.750  0.210  0.593  1.0
[/CIF]
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The compound described by CCs crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form distorted edge-sharing CsC5 square pyramids. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to three equivalent C(1) and four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), and one C(1) atom. is represented by the CIF file [CIF]
data_CsC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   9.794
_cell_length_c   10.491
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   519.494
_cell_formula_units_Z   8
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  0.250  0.984  0.667  1.0
  Cs  Cs1  1  0.250  0.484  0.833  1.0
  Cs  Cs2  1  0.750  0.516  0.167  1.0
  Cs  Cs3  1  0.750  0.157  0.931  1.0
  Cs  Cs4  1  0.750  0.016  0.333  1.0
  Cs  Cs5  1  0.250  0.843  0.069  1.0
  Cs  Cs6  1  0.750  0.657  0.569  1.0
  Cs  Cs7  1  0.250  0.343  0.431  1.0
  C  C8  1  0.750  0.710  0.907  1.0
  C  C9  1  0.250  0.790  0.407  1.0
  C  C10  1  0.250  0.678  0.347  1.0
  C  C11  1  0.750  0.322  0.653  1.0
  C  C12  1  0.250  0.178  0.153  1.0
  C  C13  1  0.750  0.822  0.847  1.0
  C  C14  1  0.250  0.290  0.093  1.0
  C  C15  1  0.750  0.210  0.593  1.0
[/CIF]
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