The material described by FeIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra and edges with six equivalent In(1)S6 octahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.550
_cell_length_b   7.550
_cell_length_c   7.550
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   304.284
_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
  In  In0  1  0.125  0.625  0.625  1.0
  In  In1  1  0.625  0.625  0.625  1.0
  In  In2  1  0.625  0.125  0.625  1.0
  In  In3  1  0.625  0.625  0.125  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.250  0.250  0.250  1.0
  S  S6  1  0.874  0.874  0.874  1.0
  S  S7  1  0.871  0.376  0.376  1.0
  S  S8  1  0.376  0.376  0.871  1.0
  S  S9  1  0.376  0.871  0.376  1.0
  S  S10  1  0.874  0.874  0.379  1.0
  S  S11  1  0.874  0.379  0.874  1.0
  S  S12  1  0.376  0.376  0.376  1.0
  S  S13  1  0.379  0.874  0.874  1.0
[/CIF]
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The material described by FeIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Fe(1)S4 tetrahedra and edges with six equivalent In(1)S6 octahedra. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1) and three equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.550
_cell_length_b   7.550
_cell_length_c   7.550
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   304.284
_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
  In  In0  1  0.125  0.625  0.625  1.0
  In  In1  1  0.625  0.625  0.625  1.0
  In  In2  1  0.625  0.125  0.625  1.0
  In  In3  1  0.625  0.625  0.125  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.250  0.250  0.250  1.0
  S  S6  1  0.874  0.874  0.874  1.0
  S  S7  1  0.871  0.376  0.376  1.0
  S  S8  1  0.376  0.376  0.871  1.0
  S  S9  1  0.376  0.871  0.376  1.0
  S  S10  1  0.874  0.874  0.379  1.0
  S  S11  1  0.874  0.379  0.874  1.0
  S  S12  1  0.376  0.376  0.376  1.0
  S  S13  1  0.379  0.874  0.874  1.0
[/CIF]
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