The crystal structure described by MgBi2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. Bi(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 tetrahedra that share corners with two equivalent O(1)Mg2Bi2 tetrahedra, corners with two equivalent O(2)MgBi3 trigonal pyramids, and edges with four equivalent O(2)MgBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Bi(1) atoms to form distorted OMgBi3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Bi2 tetrahedra, corners with three equivalent O(2)MgBi3 trigonal pyramids, edges with two equivalent O(1)Mg2Bi2 tetrahedra, and edges with two equivalent O(2)MgBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   10.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.056
_symmetry_Int_Tables_number   1
_cell_volume   258.904
_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
  Mg  Mg0  1  0.186  0.814  0.750  1.0
  Mg  Mg1  1  0.814  0.186  0.250  1.0
  Bi  Bi2  1  0.861  0.139  0.570  1.0
  Bi  Bi3  1  0.139  0.861  0.430  1.0
  Bi  Bi4  1  0.139  0.861  0.070  1.0
  Bi  Bi5  1  0.861  0.139  0.930  1.0
  O  O6  1  0.242  0.758  0.250  1.0
  O  O7  1  0.758  0.242  0.750  1.0
  O  O8  1  0.695  0.305  0.081  1.0
  O  O9  1  0.305  0.695  0.919  1.0
  O  O10  1  0.305  0.695  0.581  1.0
  O  O11  1  0.695  0.305  0.419  1.0
  O  O12  1  0.055  0.945  0.615  1.0
  O  O13  1  0.945  0.055  0.385  1.0
  O  O14  1  0.055  0.945  0.885  1.0
  O  O15  1  0.945  0.055  0.115  1.0
[/CIF]
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The crystal structure described by MgBi2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, and edges with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-40°. Bi(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted BiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 tetrahedra that share corners with two equivalent O(1)Mg2Bi2 tetrahedra, corners with two equivalent O(2)MgBi3 trigonal pyramids, and edges with four equivalent O(2)MgBi3 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Bi(1) atoms to form distorted OMgBi3 trigonal pyramids that share  a cornercorner with one O(1)Mg2Bi2 tetrahedra, corners with three equivalent O(2)MgBi3 trigonal pyramids, edges with two equivalent O(1)Mg2Bi2 tetrahedra, and edges with two equivalent O(2)MgBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MgBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   10.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   137.056
_symmetry_Int_Tables_number   1
_cell_volume   258.904
_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
  Mg  Mg0  1  0.186  0.814  0.750  1.0
  Mg  Mg1  1  0.814  0.186  0.250  1.0
  Bi  Bi2  1  0.861  0.139  0.570  1.0
  Bi  Bi3  1  0.139  0.861  0.430  1.0
  Bi  Bi4  1  0.139  0.861  0.070  1.0
  Bi  Bi5  1  0.861  0.139  0.930  1.0
  O  O6  1  0.242  0.758  0.250  1.0
  O  O7  1  0.758  0.242  0.750  1.0
  O  O8  1  0.695  0.305  0.081  1.0
  O  O9  1  0.305  0.695  0.919  1.0
  O  O10  1  0.305  0.695  0.581  1.0
  O  O11  1  0.695  0.305  0.419  1.0
  O  O12  1  0.055  0.945  0.615  1.0
  O  O13  1  0.945  0.055  0.385  1.0
  O  O14  1  0.055  0.945  0.885  1.0
  O  O15  1  0.945  0.055  0.115  1.0
[/CIF]
.