The crystal structure described by CsAsH6(CSe)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. C(1) is bonded to one As(1), one H(1), one H(2), and one H(3) atom to form distorted corner-sharing CAsH3 tetrahedra. As(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent Se(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsH6(CSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.129
_cell_length_b   7.129
_cell_length_c   9.839
_cell_angle_alpha   72.435
_cell_angle_beta   72.435
_cell_angle_gamma   91.276
_symmetry_Int_Tables_number   1
_cell_volume   450.965
_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  0.888  0.112  0.250  1.0
  Cs  Cs1  1  0.112  0.888  0.750  1.0
  As  As2  1  0.323  0.677  0.250  1.0
  As  As3  1  0.677  0.323  0.750  1.0
  H  H4  1  0.177  0.414  0.506  1.0
  H  H5  1  0.823  0.586  0.494  1.0
  H  H6  1  0.442  0.417  0.437  1.0
  H  H7  1  0.288  0.303  0.362  1.0
  H  H8  1  0.697  0.712  0.138  1.0
  H  H9  1  0.583  0.558  0.063  1.0
  H  H10  1  0.414  0.177  0.006  1.0
  H  H11  1  0.586  0.823  0.994  1.0
  H  H12  1  0.417  0.442  0.937  1.0
  H  H13  1  0.303  0.288  0.862  1.0
  H  H14  1  0.712  0.697  0.638  1.0
  H  H15  1  0.558  0.583  0.563  1.0
  C  C16  1  0.306  0.423  0.407  1.0
  C  C17  1  0.577  0.694  0.093  1.0
  C  C18  1  0.423  0.306  0.907  1.0
  C  C19  1  0.694  0.577  0.593  1.0
  Se  Se20  1  0.343  0.932  0.345  1.0
  Se  Se21  1  0.068  0.657  0.155  1.0
  Se  Se22  1  0.932  0.343  0.845  1.0
  Se  Se23  1  0.657  0.068  0.655  1.0
[/CIF]
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The crystal structure described by CsAsH6(CSe)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. C(1) is bonded to one As(1), one H(1), one H(2), and one H(3) atom to form distorted corner-sharing CAsH3 tetrahedra. As(1) is bonded in a tetrahedral geometry to two equivalent C(1) and two equivalent Se(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one As(1) atom. is represented by the CIF file [CIF]
data_CsAsH6(CSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.129
_cell_length_b   7.129
_cell_length_c   9.839
_cell_angle_alpha   72.435
_cell_angle_beta   72.435
_cell_angle_gamma   91.276
_symmetry_Int_Tables_number   1
_cell_volume   450.965
_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  0.888  0.112  0.250  1.0
  Cs  Cs1  1  0.112  0.888  0.750  1.0
  As  As2  1  0.323  0.677  0.250  1.0
  As  As3  1  0.677  0.323  0.750  1.0
  H  H4  1  0.177  0.414  0.506  1.0
  H  H5  1  0.823  0.586  0.494  1.0
  H  H6  1  0.442  0.417  0.437  1.0
  H  H7  1  0.288  0.303  0.362  1.0
  H  H8  1  0.697  0.712  0.138  1.0
  H  H9  1  0.583  0.558  0.063  1.0
  H  H10  1  0.414  0.177  0.006  1.0
  H  H11  1  0.586  0.823  0.994  1.0
  H  H12  1  0.417  0.442  0.937  1.0
  H  H13  1  0.303  0.288  0.862  1.0
  H  H14  1  0.712  0.697  0.638  1.0
  H  H15  1  0.558  0.583  0.563  1.0
  C  C16  1  0.306  0.423  0.407  1.0
  C  C17  1  0.577  0.694  0.093  1.0
  C  C18  1  0.423  0.306  0.907  1.0
  C  C19  1  0.694  0.577  0.593  1.0
  Se  Se20  1  0.343  0.932  0.345  1.0
  Se  Se21  1  0.068  0.657  0.155  1.0
  Se  Se22  1  0.932  0.343  0.845  1.0
  Se  Se23  1  0.657  0.068  0.655  1.0
[/CIF]
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