The compound described by SrMnFeBiO6 crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Bi(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Mn(1), one Fe(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   5.427
_cell_length_c   5.427
_cell_angle_alpha   60.838
_cell_angle_beta   60.838
_cell_angle_gamma   60.838
_symmetry_Int_Tables_number   1
_cell_volume   115.158
_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
  Sr  Sr0  1  0.249  0.249  0.249  1.0
  Mn  Mn1  1  0.999  0.999  0.999  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.751  0.751  0.751  1.0
  O  O4  1  0.802  0.705  0.245  1.0
  O  O5  1  0.245  0.802  0.705  1.0
  O  O6  1  0.705  0.245  0.802  1.0
  O  O7  1  0.755  0.180  0.313  1.0
  O  O8  1  0.313  0.755  0.180  1.0
  O  O9  1  0.180  0.313  0.755  1.0
[/CIF]
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The compound described by SrMnFeBiO6 crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 12-coordinate geometry to six equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Bi(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Mn(1), one Fe(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMnFeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.427
_cell_length_b   5.427
_cell_length_c   5.427
_cell_angle_alpha   60.838
_cell_angle_beta   60.838
_cell_angle_gamma   60.838
_symmetry_Int_Tables_number   1
_cell_volume   115.158
_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
  Sr  Sr0  1  0.249  0.249  0.249  1.0
  Mn  Mn1  1  0.999  0.999  0.999  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Bi  Bi3  1  0.751  0.751  0.751  1.0
  O  O4  1  0.802  0.705  0.245  1.0
  O  O5  1  0.245  0.802  0.705  1.0
  O  O6  1  0.705  0.245  0.802  1.0
  O  O7  1  0.755  0.180  0.313  1.0
  O  O8  1  0.313  0.755  0.180  1.0
  O  O9  1  0.180  0.313  0.755  1.0
[/CIF]
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