The material structure described by CsFe2Te3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Te(2) and eight equivalent Te(1) atoms. Fe(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing FeTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent Fe(1) atoms. In the second Te site, Te(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsFe2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   8.180
_cell_length_c   8.180
_cell_angle_alpha   104.813
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.467
_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  0.750  0.322  0.678  1.0
  Cs  Cs1  1  0.250  0.678  0.322  1.0
  Fe  Fe2  1  0.000  0.865  0.865  1.0
  Fe  Fe3  1  0.000  0.135  0.135  1.0
  Fe  Fe4  1  0.500  0.135  0.135  1.0
  Fe  Fe5  1  0.500  0.865  0.865  1.0
  Te  Te6  1  0.750  0.383  0.170  1.0
  Te  Te7  1  0.250  0.617  0.830  1.0
  Te  Te8  1  0.750  0.830  0.617  1.0
  Te  Te9  1  0.250  0.170  0.383  1.0
  Te  Te10  1  0.750  0.883  0.117  1.0
  Te  Te11  1  0.250  0.117  0.883  1.0
[/CIF]
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The material structure described by CsFe2Te3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent Te(2) and eight equivalent Te(1) atoms. Fe(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing FeTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1) and four equivalent Fe(1) atoms. In the second Te site, Te(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsFe2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   8.180
_cell_length_c   8.180
_cell_angle_alpha   104.813
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.467
_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  0.750  0.322  0.678  1.0
  Cs  Cs1  1  0.250  0.678  0.322  1.0
  Fe  Fe2  1  0.000  0.865  0.865  1.0
  Fe  Fe3  1  0.000  0.135  0.135  1.0
  Fe  Fe4  1  0.500  0.135  0.135  1.0
  Fe  Fe5  1  0.500  0.865  0.865  1.0
  Te  Te6  1  0.750  0.383  0.170  1.0
  Te  Te7  1  0.250  0.617  0.830  1.0
  Te  Te8  1  0.750  0.830  0.617  1.0
  Te  Te9  1  0.250  0.170  0.383  1.0
  Te  Te10  1  0.750  0.883  0.117  1.0
  Te  Te11  1  0.250  0.117  0.883  1.0
[/CIF]
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