The material described by MgFeBiO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Bi(1) and four equivalent O(1) atoms. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with four equivalent Bi(1)MgO4 square pyramids and corners with four equivalent Fe(1)O5 trigonal bipyramids. Bi(1) is bonded to one Mg(1) and four equivalent O(2) atoms to form distorted BiMgO4 square pyramids that share corners with four equivalent Bi(1)MgO4 square pyramids, corners with four equivalent Fe(1)O5 trigonal bipyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent Bi(1)MgO4 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent Bi(1)MgO4 square pyramids, corners with two equivalent O(2)FeBi4 square pyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent O(1)Mg2Fe2 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and four equivalent Bi(1) atoms to form distorted OFeBi4 square pyramids that share corners with four equivalent O(2)FeBi4 square pyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent O(2)FeBi4 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.745
_cell_length_b   3.745
_cell_length_c   6.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.472
_cell_formula_units_Z   1
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  0.000  0.000  0.364  1.0
  Fe  Fe1  1  0.500  0.500  0.564  1.0
  Bi  Bi2  1  0.000  0.000  0.909  1.0
  O  O3  1  0.000  0.500  0.463  1.0
  O  O4  1  0.500  0.000  0.463  1.0
  O  O5  1  0.500  0.500  0.855  1.0
[/CIF]
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The material described by MgFeBiO3 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Bi(1) and four equivalent O(1) atoms. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted FeO5 trigonal bipyramids that share corners with four equivalent Bi(1)MgO4 square pyramids and corners with four equivalent Fe(1)O5 trigonal bipyramids. Bi(1) is bonded to one Mg(1) and four equivalent O(2) atoms to form distorted BiMgO4 square pyramids that share corners with four equivalent Bi(1)MgO4 square pyramids, corners with four equivalent Fe(1)O5 trigonal bipyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent Bi(1)MgO4 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Fe(1) atoms to form distorted OMg2Fe2 trigonal pyramids that share corners with two equivalent Bi(1)MgO4 square pyramids, corners with two equivalent O(2)FeBi4 square pyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent O(1)Mg2Fe2 trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and four equivalent Bi(1) atoms to form distorted OFeBi4 square pyramids that share corners with four equivalent O(2)FeBi4 square pyramids, corners with four equivalent O(1)Mg2Fe2 trigonal pyramids, and edges with four equivalent O(2)FeBi4 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFeBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.745
_cell_length_b   3.745
_cell_length_c   6.879
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.472
_cell_formula_units_Z   1
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  0.000  0.000  0.364  1.0
  Fe  Fe1  1  0.500  0.500  0.564  1.0
  Bi  Bi2  1  0.000  0.000  0.909  1.0
  O  O3  1  0.000  0.500  0.463  1.0
  O  O4  1  0.500  0.000  0.463  1.0
  O  O5  1  0.500  0.500  0.855  1.0
[/CIF]
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