The material described by Cs2CoSe2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Co(1) and six equivalent Se(1) atoms. Co(1) is bonded to four equivalent Cs(1) and four equivalent Se(1) atoms to form distorted face-sharing CoCs4Se4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to six equivalent Cs(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Cs2CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.807
_cell_length_b   8.807
_cell_length_c   8.807
_cell_angle_alpha   135.667
_cell_angle_beta   129.172
_cell_angle_gamma   69.699
_symmetry_Int_Tables_number   1
_cell_volume   363.060
_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  0.819  0.646  0.173  1.0
  Cs  Cs1  1  0.181  0.354  0.827  1.0
  Cs  Cs2  1  0.527  0.854  0.673  1.0
  Cs  Cs3  1  0.473  0.146  0.327  1.0
  Co  Co4  1  0.000  0.750  0.750  1.0
  Co  Co5  1  0.000  0.250  0.250  1.0
  Se  Se6  1  0.255  0.591  0.664  1.0
  Se  Se7  1  0.073  0.909  0.164  1.0
  Se  Se8  1  0.927  0.091  0.836  1.0
  Se  Se9  1  0.745  0.409  0.336  1.0
[/CIF]
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The material described by Cs2CoSe2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Co(1) and six equivalent Se(1) atoms. Co(1) is bonded to four equivalent Cs(1) and four equivalent Se(1) atoms to form distorted face-sharing CoCs4Se4 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to six equivalent Cs(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Cs2CoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.807
_cell_length_b   8.807
_cell_length_c   8.807
_cell_angle_alpha   135.667
_cell_angle_beta   129.172
_cell_angle_gamma   69.699
_symmetry_Int_Tables_number   1
_cell_volume   363.060
_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  0.819  0.646  0.173  1.0
  Cs  Cs1  1  0.181  0.354  0.827  1.0
  Cs  Cs2  1  0.527  0.854  0.673  1.0
  Cs  Cs3  1  0.473  0.146  0.327  1.0
  Co  Co4  1  0.000  0.750  0.750  1.0
  Co  Co5  1  0.000  0.250  0.250  1.0
  Se  Se6  1  0.255  0.591  0.664  1.0
  Se  Se7  1  0.073  0.909  0.164  1.0
  Se  Se8  1  0.927  0.091  0.836  1.0
  Se  Se9  1  0.745  0.409  0.336  1.0
[/CIF]
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