The structure described by Mn3Bi crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to four equivalent Mn(2) and two equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), one Bi(1), and two equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mn(2) and four equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to twelve equivalent Mn(2) and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.827
_cell_length_b   10.827
_cell_length_c   10.827
_cell_angle_alpha   119.101
_cell_angle_beta   119.101
_cell_angle_gamma   119.101
_symmetry_Int_Tables_number   1
_cell_volume   311.564
_cell_formula_units_Z   4
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  0.768  0.000  0.232  1.0
  Mn  Mn1  1  0.376  0.376  0.623  1.0
  Mn  Mn2  1  0.232  0.768  0.000  1.0
  Mn  Mn3  1  0.000  0.232  0.768  1.0
  Mn  Mn4  1  0.768  0.232  0.000  1.0
  Mn  Mn5  1  0.623  0.376  0.376  1.0
  Mn  Mn6  1  0.376  0.623  0.376  1.0
  Mn  Mn7  1  0.624  0.377  0.624  1.0
  Mn  Mn8  1  0.000  0.768  0.232  1.0
  Mn  Mn9  1  0.232  0.000  0.768  1.0
  Mn  Mn10  1  0.377  0.624  0.624  1.0
  Mn  Mn11  1  0.624  0.624  0.377  1.0
  Bi  Bi12  1  0.500  0.500  0.000  1.0
  Bi  Bi13  1  0.000  0.000  0.000  1.0
  Bi  Bi14  1  0.000  0.500  0.500  1.0
  Bi  Bi15  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by Mn3Bi crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to four equivalent Mn(2) and two equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), one Bi(1), and two equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent Mn(2) and four equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 14-coordinate geometry to twelve equivalent Mn(2) and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.827
_cell_length_b   10.827
_cell_length_c   10.827
_cell_angle_alpha   119.101
_cell_angle_beta   119.101
_cell_angle_gamma   119.101
_symmetry_Int_Tables_number   1
_cell_volume   311.564
_cell_formula_units_Z   4
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  0.768  0.000  0.232  1.0
  Mn  Mn1  1  0.376  0.376  0.623  1.0
  Mn  Mn2  1  0.232  0.768  0.000  1.0
  Mn  Mn3  1  0.000  0.232  0.768  1.0
  Mn  Mn4  1  0.768  0.232  0.000  1.0
  Mn  Mn5  1  0.623  0.376  0.376  1.0
  Mn  Mn6  1  0.376  0.623  0.376  1.0
  Mn  Mn7  1  0.624  0.377  0.624  1.0
  Mn  Mn8  1  0.000  0.768  0.232  1.0
  Mn  Mn9  1  0.232  0.000  0.768  1.0
  Mn  Mn10  1  0.377  0.624  0.624  1.0
  Mn  Mn11  1  0.624  0.624  0.377  1.0
  Bi  Bi12  1  0.500  0.500  0.000  1.0
  Bi  Bi13  1  0.000  0.000  0.000  1.0
  Bi  Bi14  1  0.000  0.500  0.500  1.0
  Bi  Bi15  1  0.500  0.000  0.500  1.0
[/CIF]
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