The material structure described by Mn4InSb3 is Modderite-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent In(1) and three equivalent Sb(2) atoms to form distorted MnIn3Sb3 octahedra that share corners with six equivalent Mn(1)In3Sb3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(1)In3Sb3 octahedra,  a faceface with one Mn(1)In3Sb3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form distorted MnSb6 octahedra that share corners with six equivalent Mn(1)In3Sb3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(1)In3Sb3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 51°. In(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn4InSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.063
_cell_length_b   4.063
_cell_length_c   11.311
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.730
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.000  0.000  0.129  1.0
  Mn  Mn1  1  0.000  0.000  0.623  1.0
  Mn  Mn2  1  0.000  0.000  0.377  1.0
  Mn  Mn3  1  0.000  0.000  0.871  1.0
  In  In4  1  0.667  0.333  0.000  1.0
  Sb  Sb5  1  0.667  0.333  0.500  1.0
  Sb  Sb6  1  0.333  0.667  0.249  1.0
  Sb  Sb7  1  0.333  0.667  0.751  1.0
[/CIF]
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The material structure described by Mn4InSb3 is Modderite-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent In(1) and three equivalent Sb(2) atoms to form distorted MnIn3Sb3 octahedra that share corners with six equivalent Mn(1)In3Sb3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(1)In3Sb3 octahedra,  a faceface with one Mn(1)In3Sb3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Mn site, Mn(2) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form distorted MnSb6 octahedra that share corners with six equivalent Mn(1)In3Sb3 octahedra, corners with six equivalent Mn(2)Sb6 octahedra, edges with six equivalent Mn(2)Sb6 octahedra,  a faceface with one Mn(1)In3Sb3 octahedra, and  a faceface with one Mn(2)Sb6 octahedra. The corner-sharing octahedral tilt angles are 51°. In(1) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Mn(1) and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn4InSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.063
_cell_length_b   4.063
_cell_length_c   11.311
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.730
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.000  0.000  0.129  1.0
  Mn  Mn1  1  0.000  0.000  0.623  1.0
  Mn  Mn2  1  0.000  0.000  0.377  1.0
  Mn  Mn3  1  0.000  0.000  0.871  1.0
  In  In4  1  0.667  0.333  0.000  1.0
  Sb  Sb5  1  0.667  0.333  0.500  1.0
  Sb  Sb6  1  0.333  0.667  0.249  1.0
  Sb  Sb7  1  0.333  0.667  0.751  1.0
[/CIF]
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