The structure described by Y6MnBi2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing YMn2Bi2 tetrahedra. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent Bi(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Y(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y6MnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.284
_cell_length_b   8.284
_cell_length_c   4.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   264.041
_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
  Y  Y0  1  0.238  1.000  0.500  1.0
  Y  Y1  1  0.000  0.238  0.500  1.0
  Y  Y2  1  0.762  0.762  0.500  1.0
  Y  Y3  1  0.599  1.000  0.000  1.0
  Y  Y4  1  0.000  0.599  0.000  1.0
  Y  Y5  1  0.401  0.401  0.000  1.0
  Mn  Mn6  1  1.000  1.000  0.000  1.0
  Bi  Bi7  1  0.333  0.667  0.500  1.0
  Bi  Bi8  1  0.667  0.333  0.500  1.0
[/CIF]
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The structure described by Y6MnBi2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing YMn2Bi2 tetrahedra. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent Bi(1) atoms. Mn(1) is bonded in a 9-coordinate geometry to three equivalent Y(2) and six equivalent Y(1) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Y(2) atoms. is represented by the CIF card [CIF]
data_Y6MnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.284
_cell_length_b   8.284
_cell_length_c   4.443
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   264.041
_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
  Y  Y0  1  0.238  1.000  0.500  1.0
  Y  Y1  1  0.000  0.238  0.500  1.0
  Y  Y2  1  0.762  0.762  0.500  1.0
  Y  Y3  1  0.599  1.000  0.000  1.0
  Y  Y4  1  0.000  0.599  0.000  1.0
  Y  Y5  1  0.401  0.401  0.000  1.0
  Mn  Mn6  1  1.000  1.000  0.000  1.0
  Bi  Bi7  1  0.333  0.667  0.500  1.0
  Bi  Bi8  1  0.667  0.333  0.500  1.0
[/CIF]
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