The crystal structure described by MnFeBiO5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-56°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Mn(1)O5 square pyramids and edges with two equivalent Fe(1)O6 octahedra. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Mn(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   5.976
_cell_length_b   7.591
_cell_length_c   8.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.241
_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  0.896  0.145  1.0
  Mn  Mn1  1  0.500  0.604  0.645  1.0
  Mn  Mn2  1  0.500  0.396  0.355  1.0
  Mn  Mn3  1  0.500  0.104  0.855  1.0
  Fe  Fe4  1  0.744  0.500  0.000  1.0
  Fe  Fe5  1  0.256  0.500  0.000  1.0
  Fe  Fe6  1  0.744  0.000  0.500  1.0
  Fe  Fe7  1  0.256  0.000  0.500  1.0
  Bi  Bi8  1  0.000  0.839  0.830  1.0
  Bi  Bi9  1  0.000  0.339  0.670  1.0
  Bi  Bi10  1  0.000  0.161  0.170  1.0
  Bi  Bi11  1  0.000  0.661  0.330  1.0
  O  O12  1  0.500  0.656  0.081  1.0
  O  O13  1  0.000  0.163  0.444  1.0
  O  O14  1  0.256  0.882  0.292  1.0
  O  O15  1  0.710  0.000  0.000  1.0
  O  O16  1  0.744  0.618  0.792  1.0
  O  O17  1  0.744  0.118  0.708  1.0
  O  O18  1  0.500  0.344  0.919  1.0
  O  O19  1  0.290  0.500  0.500  1.0
  O  O20  1  0.000  0.837  0.556  1.0
  O  O21  1  0.256  0.118  0.708  1.0
  O  O22  1  0.000  0.663  0.056  1.0
  O  O23  1  0.744  0.382  0.208  1.0
  O  O24  1  0.744  0.882  0.292  1.0
  O  O25  1  0.256  0.618  0.792  1.0
  O  O26  1  0.290  0.000  0.000  1.0
  O  O27  1  0.500  0.844  0.581  1.0
  O  O28  1  0.500  0.156  0.419  1.0
  O  O29  1  0.710  0.500  0.500  1.0
  O  O30  1  0.256  0.382  0.208  1.0
  O  O31  1  0.000  0.337  0.944  1.0
[/CIF]
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The crystal structure described by MnFeBiO5 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO5 square pyramids that share corners with four equivalent Fe(1)O6 octahedra and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-56°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Mn(1)O5 square pyramids and edges with two equivalent Fe(1)O6 octahedra. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Mn(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   5.976
_cell_length_b   7.591
_cell_length_c   8.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.241
_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  0.896  0.145  1.0
  Mn  Mn1  1  0.500  0.604  0.645  1.0
  Mn  Mn2  1  0.500  0.396  0.355  1.0
  Mn  Mn3  1  0.500  0.104  0.855  1.0
  Fe  Fe4  1  0.744  0.500  0.000  1.0
  Fe  Fe5  1  0.256  0.500  0.000  1.0
  Fe  Fe6  1  0.744  0.000  0.500  1.0
  Fe  Fe7  1  0.256  0.000  0.500  1.0
  Bi  Bi8  1  0.000  0.839  0.830  1.0
  Bi  Bi9  1  0.000  0.339  0.670  1.0
  Bi  Bi10  1  0.000  0.161  0.170  1.0
  Bi  Bi11  1  0.000  0.661  0.330  1.0
  O  O12  1  0.500  0.656  0.081  1.0
  O  O13  1  0.000  0.163  0.444  1.0
  O  O14  1  0.256  0.882  0.292  1.0
  O  O15  1  0.710  0.000  0.000  1.0
  O  O16  1  0.744  0.618  0.792  1.0
  O  O17  1  0.744  0.118  0.708  1.0
  O  O18  1  0.500  0.344  0.919  1.0
  O  O19  1  0.290  0.500  0.500  1.0
  O  O20  1  0.000  0.837  0.556  1.0
  O  O21  1  0.256  0.118  0.708  1.0
  O  O22  1  0.000  0.663  0.056  1.0
  O  O23  1  0.744  0.382  0.208  1.0
  O  O24  1  0.744  0.882  0.292  1.0
  O  O25  1  0.256  0.618  0.792  1.0
  O  O26  1  0.290  0.000  0.000  1.0
  O  O27  1  0.500  0.844  0.581  1.0
  O  O28  1  0.500  0.156  0.419  1.0
  O  O29  1  0.710  0.500  0.500  1.0
  O  O30  1  0.256  0.382  0.208  1.0
  O  O31  1  0.000  0.337  0.944  1.0
[/CIF]
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