The structure described by Cs2MnSe2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1) and six equivalent Se(1) atoms. Mn(1) is bonded to four equivalent Cs(1) and four equivalent Se(1) atoms to form distorted face-sharing MnCs4Se4 tetrahedra. Se(1) is bonded in a 2-coordinate geometry to six equivalent Cs(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Cs2MnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.857
_cell_length_b   8.857
_cell_length_c   8.857
_cell_angle_alpha   134.942
_cell_angle_beta   129.177
_cell_angle_gamma   70.238
_symmetry_Int_Tables_number   1
_cell_volume   373.761
_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  0.517  0.852  0.665  1.0
  Cs  Cs1  1  0.483  0.148  0.335  1.0
  Cs  Cs2  1  0.812  0.648  0.165  1.0
  Cs  Cs3  1  0.188  0.352  0.835  1.0
  Mn  Mn4  1  0.000  0.250  0.250  1.0
  Mn  Mn5  1  1.000  0.750  0.750  1.0
  Se  Se6  1  0.081  0.903  0.178  1.0
  Se  Se7  1  0.726  0.403  0.322  1.0
  Se  Se8  1  0.919  0.097  0.822  1.0
  Se  Se9  1  0.274  0.597  0.678  1.0
[/CIF]
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The structure described by Cs2MnSe2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1) and six equivalent Se(1) atoms. Mn(1) is bonded to four equivalent Cs(1) and four equivalent Se(1) atoms to form distorted face-sharing MnCs4Se4 tetrahedra. Se(1) is bonded in a 2-coordinate geometry to six equivalent Cs(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Cs2MnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.857
_cell_length_b   8.857
_cell_length_c   8.857
_cell_angle_alpha   134.942
_cell_angle_beta   129.177
_cell_angle_gamma   70.238
_symmetry_Int_Tables_number   1
_cell_volume   373.761
_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  0.517  0.852  0.665  1.0
  Cs  Cs1  1  0.483  0.148  0.335  1.0
  Cs  Cs2  1  0.812  0.648  0.165  1.0
  Cs  Cs3  1  0.188  0.352  0.835  1.0
  Mn  Mn4  1  0.000  0.250  0.250  1.0
  Mn  Mn5  1  1.000  0.750  0.750  1.0
  Se  Se6  1  0.081  0.903  0.178  1.0
  Se  Se7  1  0.726  0.403  0.322  1.0
  Se  Se8  1  0.919  0.097  0.822  1.0
  Se  Se9  1  0.274  0.597  0.678  1.0
[/CIF]
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