The crystal structure described by MnBi2O5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO5 square pyramids that share corners with six equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-77°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, corners with six equivalent Mn(1)O5 square pyramids,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-74°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted corner and edge-sharing OBi4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_MnBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   7.347
_cell_length_c   9.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.405
_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  0.500  0.357  0.385  1.0
  Mn  Mn1  1  0.500  0.643  0.615  1.0
  Mn  Mn2  1  0.500  0.143  0.885  1.0
  Mn  Mn3  1  0.500  0.857  0.115  1.0
  Bi  Bi4  1  0.000  0.043  0.167  1.0
  Bi  Bi5  1  0.000  0.957  0.833  1.0
  Bi  Bi6  1  0.000  0.457  0.667  1.0
  Bi  Bi7  1  0.000  0.543  0.333  1.0
  Bi  Bi8  1  0.255  0.000  0.500  1.0
  Bi  Bi9  1  0.745  0.000  0.500  1.0
  Bi  Bi10  1  0.745  0.500  0.000  1.0
  Bi  Bi11  1  0.255  0.500  0.000  1.0
  O  O12  1  0.261  0.000  0.000  1.0
  O  O13  1  0.739  0.000  0.000  1.0
  O  O14  1  0.739  0.500  0.500  1.0
  O  O15  1  0.261  0.500  0.500  1.0
  O  O16  1  0.000  0.346  0.098  1.0
  O  O17  1  0.000  0.654  0.902  1.0
  O  O18  1  0.000  0.154  0.598  1.0
  O  O19  1  0.000  0.846  0.402  1.0
  O  O20  1  0.500  0.331  0.076  1.0
  O  O21  1  0.500  0.669  0.924  1.0
  O  O22  1  0.500  0.169  0.576  1.0
  O  O23  1  0.500  0.831  0.424  1.0
  O  O24  1  0.251  0.165  0.323  1.0
  O  O25  1  0.749  0.835  0.677  1.0
  O  O26  1  0.251  0.835  0.677  1.0
  O  O27  1  0.749  0.335  0.823  1.0
  O  O28  1  0.749  0.165  0.323  1.0
  O  O29  1  0.251  0.665  0.177  1.0
  O  O30  1  0.749  0.665  0.177  1.0
  O  O31  1  0.251  0.335  0.823  1.0
[/CIF]
.
The crystal structure described by MnBi2O5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MnO5 square pyramids that share corners with six equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 26-77°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with two equivalent Bi(2)O6 octahedra, corners with six equivalent Mn(1)O5 square pyramids,  an edgeedge with one Bi(1)O6 octahedra, and edges with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-74°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of distorted corner and edge-sharing OBi4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_MnBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.560
_cell_length_b   7.347
_cell_length_c   9.718
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.405
_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  0.500  0.357  0.385  1.0
  Mn  Mn1  1  0.500  0.643  0.615  1.0
  Mn  Mn2  1  0.500  0.143  0.885  1.0
  Mn  Mn3  1  0.500  0.857  0.115  1.0
  Bi  Bi4  1  0.000  0.043  0.167  1.0
  Bi  Bi5  1  0.000  0.957  0.833  1.0
  Bi  Bi6  1  0.000  0.457  0.667  1.0
  Bi  Bi7  1  0.000  0.543  0.333  1.0
  Bi  Bi8  1  0.255  0.000  0.500  1.0
  Bi  Bi9  1  0.745  0.000  0.500  1.0
  Bi  Bi10  1  0.745  0.500  0.000  1.0
  Bi  Bi11  1  0.255  0.500  0.000  1.0
  O  O12  1  0.261  0.000  0.000  1.0
  O  O13  1  0.739  0.000  0.000  1.0
  O  O14  1  0.739  0.500  0.500  1.0
  O  O15  1  0.261  0.500  0.500  1.0
  O  O16  1  0.000  0.346  0.098  1.0
  O  O17  1  0.000  0.654  0.902  1.0
  O  O18  1  0.000  0.154  0.598  1.0
  O  O19  1  0.000  0.846  0.402  1.0
  O  O20  1  0.500  0.331  0.076  1.0
  O  O21  1  0.500  0.669  0.924  1.0
  O  O22  1  0.500  0.169  0.576  1.0
  O  O23  1  0.500  0.831  0.424  1.0
  O  O24  1  0.251  0.165  0.323  1.0
  O  O25  1  0.749  0.835  0.677  1.0
  O  O26  1  0.251  0.835  0.677  1.0
  O  O27  1  0.749  0.335  0.823  1.0
  O  O28  1  0.749  0.165  0.323  1.0
  O  O29  1  0.251  0.665  0.177  1.0
  O  O30  1  0.749  0.665  0.177  1.0
  O  O31  1  0.251  0.335  0.823  1.0
[/CIF]
.