The material structure described by MnBi is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to six equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing MnBi6 pentagonal pyramids. Bi(1) is bonded to six equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing BiMn6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.126
_cell_length_b   4.126
_cell_length_c   6.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.928
_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  0.667  0.333  0.750  1.0
  Mn  Mn1  1  0.333  0.667  0.250  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by MnBi is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to six equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing MnBi6 pentagonal pyramids. Bi(1) is bonded to six equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing BiMn6 octahedra. The corner-sharing octahedral tilt angles are 48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.126
_cell_length_b   4.126
_cell_length_c   6.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.928
_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  0.667  0.333  0.750  1.0
  Mn  Mn1  1  0.333  0.667  0.250  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
[/CIF]
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