The material described by Mn2Sb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent Mn(1) and five equivalent Sb(1) atoms to form a mixture of face and corner-sharing MnMn6Sb5 trigonal bipyramids. Sb(1) is bonded in a 11-coordinate geometry to five equivalent Mn(2) and six equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.528
_cell_length_b   4.528
_cell_length_c   5.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.494
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.333  0.667  0.750  1.0
  Mn  Mn3  1  0.667  0.333  0.250  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
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The material described by Mn2Sb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 14-coordinate geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent Mn(1) and five equivalent Sb(1) atoms to form a mixture of face and corner-sharing MnMn6Sb5 trigonal bipyramids. Sb(1) is bonded in a 11-coordinate geometry to five equivalent Mn(2) and six equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.528
_cell_length_b   4.528
_cell_length_c   5.492
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.494
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.333  0.667  0.750  1.0
  Mn  Mn3  1  0.667  0.333  0.250  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
.