The structure described by MnFeBiO5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Fe(1)O5 square pyramids and edges with two equivalent Mn(1)O6 octahedra. Fe(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Fe(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OFe2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MnFeBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.629
_cell_length_c   8.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.900
_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  0.253  0.500  0.000  1.0
  Mn  Mn1  1  0.747  0.000  0.500  1.0
  Mn  Mn2  1  0.747  0.500  0.000  1.0
  Mn  Mn3  1  0.253  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.886  0.147  1.0
  Fe  Fe5  1  0.500  0.114  0.853  1.0
  Fe  Fe6  1  0.500  0.386  0.353  1.0
  Fe  Fe7  1  0.500  0.614  0.647  1.0
  Bi  Bi8  1  0.000  0.647  0.338  1.0
  Bi  Bi9  1  0.000  0.353  0.662  1.0
  Bi  Bi10  1  0.000  0.147  0.162  1.0
  Bi  Bi11  1  0.000  0.853  0.838  1.0
  O  O12  1  0.000  0.655  0.057  1.0
  O  O13  1  0.000  0.345  0.943  1.0
  O  O14  1  0.000  0.155  0.443  1.0
  O  O15  1  0.000  0.845  0.557  1.0
  O  O16  1  0.281  0.500  0.500  1.0
  O  O17  1  0.719  0.000  0.000  1.0
  O  O18  1  0.719  0.500  0.500  1.0
  O  O19  1  0.281  0.000  0.000  1.0
  O  O20  1  0.500  0.645  0.077  1.0
  O  O21  1  0.500  0.355  0.923  1.0
  O  O22  1  0.500  0.145  0.423  1.0
  O  O23  1  0.500  0.855  0.577  1.0
  O  O24  1  0.252  0.885  0.301  1.0
  O  O25  1  0.252  0.115  0.699  1.0
  O  O26  1  0.748  0.385  0.199  1.0
  O  O27  1  0.748  0.615  0.801  1.0
  O  O28  1  0.748  0.115  0.699  1.0
  O  O29  1  0.748  0.885  0.301  1.0
  O  O30  1  0.252  0.615  0.801  1.0
  O  O31  1  0.252  0.385  0.199  1.0
[/CIF]
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The structure described by MnFeBiO5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Fe(1)O5 square pyramids and edges with two equivalent Mn(1)O6 octahedra. Fe(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted FeO5 square pyramids that share corners with four equivalent Mn(1)O6 octahedra and  an edgeedge with one Fe(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OFe2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_MnFeBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.629
_cell_length_c   8.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.900
_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  0.253  0.500  0.000  1.0
  Mn  Mn1  1  0.747  0.000  0.500  1.0
  Mn  Mn2  1  0.747  0.500  0.000  1.0
  Mn  Mn3  1  0.253  0.000  0.500  1.0
  Fe  Fe4  1  0.500  0.886  0.147  1.0
  Fe  Fe5  1  0.500  0.114  0.853  1.0
  Fe  Fe6  1  0.500  0.386  0.353  1.0
  Fe  Fe7  1  0.500  0.614  0.647  1.0
  Bi  Bi8  1  0.000  0.647  0.338  1.0
  Bi  Bi9  1  0.000  0.353  0.662  1.0
  Bi  Bi10  1  0.000  0.147  0.162  1.0
  Bi  Bi11  1  0.000  0.853  0.838  1.0
  O  O12  1  0.000  0.655  0.057  1.0
  O  O13  1  0.000  0.345  0.943  1.0
  O  O14  1  0.000  0.155  0.443  1.0
  O  O15  1  0.000  0.845  0.557  1.0
  O  O16  1  0.281  0.500  0.500  1.0
  O  O17  1  0.719  0.000  0.000  1.0
  O  O18  1  0.719  0.500  0.500  1.0
  O  O19  1  0.281  0.000  0.000  1.0
  O  O20  1  0.500  0.645  0.077  1.0
  O  O21  1  0.500  0.355  0.923  1.0
  O  O22  1  0.500  0.145  0.423  1.0
  O  O23  1  0.500  0.855  0.577  1.0
  O  O24  1  0.252  0.885  0.301  1.0
  O  O25  1  0.252  0.115  0.699  1.0
  O  O26  1  0.748  0.385  0.199  1.0
  O  O27  1  0.748  0.615  0.801  1.0
  O  O28  1  0.748  0.115  0.699  1.0
  O  O29  1  0.748  0.885  0.301  1.0
  O  O30  1  0.252  0.615  0.801  1.0
  O  O31  1  0.252  0.385  0.199  1.0
[/CIF]
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