The material described by Ba2Mn2Bi2O crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to six equivalent Bi(1) atoms to form edge-sharing BaBi6 octahedra. Mn(1) is bonded in a distorted single-bond geometry to three equivalent Bi(1) and one O(1) atom. Bi(1) is bonded in a 6-coordinate geometry to three equivalent Ba(2) and three equivalent Mn(1) atoms. O(1) is bonded to three equivalent Ba(1) and two equivalent Mn(1) atoms to form corner-sharing OBa3Mn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mn2Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   4.895
_cell_length_c   20.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.052
_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
  Ba  Ba0  1  1.000  0.000  0.750  1.0
  Ba  Ba1  1  0.000  0.000  0.250  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.000  1.000  1.0
  Mn  Mn4  1  0.333  0.667  0.849  1.0
  Mn  Mn5  1  0.667  0.333  0.349  1.0
  Mn  Mn6  1  0.667  0.333  0.151  1.0
  Mn  Mn7  1  0.333  0.667  0.651  1.0
  Bi  Bi8  1  0.667  0.333  0.889  1.0
  Bi  Bi9  1  0.667  0.333  0.611  1.0
  Bi  Bi10  1  0.333  0.667  0.389  1.0
  Bi  Bi11  1  0.333  0.667  0.111  1.0
  O  O12  1  0.667  0.333  0.250  1.0
  O  O13  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by Ba2Mn2Bi2O crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to six equivalent Bi(1) atoms to form edge-sharing BaBi6 octahedra. Mn(1) is bonded in a distorted single-bond geometry to three equivalent Bi(1) and one O(1) atom. Bi(1) is bonded in a 6-coordinate geometry to three equivalent Ba(2) and three equivalent Mn(1) atoms. O(1) is bonded to three equivalent Ba(1) and two equivalent Mn(1) atoms to form corner-sharing OBa3Mn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Mn2Bi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.895
_cell_length_b   4.895
_cell_length_c   20.482
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   425.052
_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
  Ba  Ba0  1  1.000  0.000  0.750  1.0
  Ba  Ba1  1  0.000  0.000  0.250  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.000  1.000  1.0
  Mn  Mn4  1  0.333  0.667  0.849  1.0
  Mn  Mn5  1  0.667  0.333  0.349  1.0
  Mn  Mn6  1  0.667  0.333  0.151  1.0
  Mn  Mn7  1  0.333  0.667  0.651  1.0
  Bi  Bi8  1  0.667  0.333  0.889  1.0
  Bi  Bi9  1  0.667  0.333  0.611  1.0
  Bi  Bi10  1  0.333  0.667  0.389  1.0
  Bi  Bi11  1  0.333  0.667  0.111  1.0
  O  O12  1  0.667  0.333  0.250  1.0
  O  O13  1  0.333  0.667  0.750  1.0
[/CIF]
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