The structure described by CsFe2Se3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Se(1) and eight equivalent Se(2) atoms. Fe(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing FeSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and four equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_CsFe2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.802
_cell_length_b   7.802
_cell_length_c   6.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.791
_symmetry_Int_Tables_number   1
_cell_volume   359.743
_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  0.338  0.662  0.750  1.0
  Cs  Cs1  1  0.662  0.338  0.250  1.0
  Fe  Fe2  1  0.136  0.136  0.000  1.0
  Fe  Fe3  1  0.136  0.136  0.500  1.0
  Fe  Fe4  1  0.864  0.864  0.000  1.0
  Fe  Fe5  1  0.864  0.864  0.500  1.0
  Se  Se6  1  0.878  0.122  0.750  1.0
  Se  Se7  1  0.122  0.878  0.250  1.0
  Se  Se8  1  0.376  0.158  0.750  1.0
  Se  Se9  1  0.158  0.376  0.250  1.0
  Se  Se10  1  0.624  0.842  0.250  1.0
  Se  Se11  1  0.842  0.624  0.750  1.0
[/CIF]
.
The structure described by CsFe2Se3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Se(1) and eight equivalent Se(2) atoms. Fe(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of distorted edge and corner-sharing FeSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and four equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to four equivalent Cs(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_CsFe2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.802
_cell_length_b   7.802
_cell_length_c   6.086
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.791
_symmetry_Int_Tables_number   1
_cell_volume   359.743
_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  0.338  0.662  0.750  1.0
  Cs  Cs1  1  0.662  0.338  0.250  1.0
  Fe  Fe2  1  0.136  0.136  0.000  1.0
  Fe  Fe3  1  0.136  0.136  0.500  1.0
  Fe  Fe4  1  0.864  0.864  0.000  1.0
  Fe  Fe5  1  0.864  0.864  0.500  1.0
  Se  Se6  1  0.878  0.122  0.750  1.0
  Se  Se7  1  0.122  0.878  0.250  1.0
  Se  Se8  1  0.376  0.158  0.750  1.0
  Se  Se9  1  0.158  0.376  0.250  1.0
  Se  Se10  1  0.624  0.842  0.250  1.0
  Se  Se11  1  0.842  0.624  0.750  1.0
[/CIF]
.