The material described by Mn3Sb2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), three equivalent Mn(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded to six equivalent Mn(1), two equivalent Sb(1), and three equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing MnMn6Sb5 trigonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2) and six equivalent Mn(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Mn(2) and six equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.321
_cell_length_b   4.320
_cell_length_c   5.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   86.740
_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  1.000  0.497  1.0
  Mn  Mn1  1  0.000  1.000  0.003  1.0
  Mn  Mn2  1  0.333  0.333  0.250  1.0
  Sb  Sb3  1  0.333  0.333  0.750  1.0
  Sb  Sb4  1  0.667  0.667  0.250  1.0
[/CIF]
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The material described by Mn3Sb2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), three equivalent Mn(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. In the second Mn site, Mn(2) is bonded to six equivalent Mn(1), two equivalent Sb(1), and three equivalent Sb(2) atoms to form a mixture of distorted face and corner-sharing MnMn6Sb5 trigonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mn(2) and six equivalent Mn(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Mn(2) and six equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Sb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.321
_cell_length_b   4.320
_cell_length_c   5.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.006
_symmetry_Int_Tables_number   1
_cell_volume   86.740
_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  1.000  0.497  1.0
  Mn  Mn1  1  0.000  1.000  0.003  1.0
  Mn  Mn2  1  0.333  0.333  0.250  1.0
  Sb  Sb3  1  0.333  0.333  0.750  1.0
  Sb  Sb4  1  0.667  0.667  0.250  1.0
[/CIF]
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