The crystal structure described by Bi2MnCoO6 crystallizes in the monoclinic C2 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Co(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Co(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Mn(1), one Co(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMnCoBi2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mn(1), one Co(2), and two equivalent Bi(2) atoms. In the sixth O site, O(6) is bonded to one Mn(1), one Co(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMnCoBi2 tetrahedra. is represented by the CIF file [CIF]
data_MnCo(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   9.739
_cell_angle_alpha   74.217
_cell_angle_beta   74.217
_cell_angle_gamma   59.548
_symmetry_Int_Tables_number   1
_cell_volume   246.302
_cell_formula_units_Z   2
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  0.741  0.754  0.750  1.0
  Mn  Mn1  1  0.246  0.259  0.250  1.0
  Co  Co2  1  0.000  1.000  0.000  1.0
  Co  Co3  1  0.485  0.515  0.500  1.0
  Bi  Bi4  1  0.323  0.409  0.876  1.0
  Bi  Bi5  1  0.591  0.677  0.124  1.0
  Bi  Bi6  1  0.889  0.843  0.376  1.0
  Bi  Bi7  1  0.157  0.111  0.624  1.0
  O  O8  1  0.622  0.063  0.135  1.0
  O  O9  1  0.550  0.128  0.631  1.0
  O  O10  1  0.937  0.378  0.865  1.0
  O  O11  1  0.130  0.571  0.092  1.0
  O  O12  1  0.955  0.858  0.832  1.0
  O  O13  1  0.055  0.634  0.591  1.0
  O  O14  1  0.525  0.649  0.670  1.0
  O  O15  1  0.351  0.475  0.330  1.0
  O  O16  1  0.872  0.450  0.369  1.0
  O  O17  1  0.366  0.945  0.409  1.0
  O  O18  1  0.142  0.045  0.168  1.0
  O  O19  1  0.429  0.870  0.908  1.0
[/CIF]
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The crystal structure described by Bi2MnCoO6 crystallizes in the monoclinic C2 space group. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Co(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Co(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to one Mn(1), one Co(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMnCoBi2 tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mn(1), one Co(2), and two equivalent Bi(2) atoms. In the sixth O site, O(6) is bonded to one Mn(1), one Co(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMnCoBi2 tetrahedra. is represented by the CIF file [CIF]
data_MnCo(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   9.739
_cell_angle_alpha   74.217
_cell_angle_beta   74.217
_cell_angle_gamma   59.548
_symmetry_Int_Tables_number   1
_cell_volume   246.302
_cell_formula_units_Z   2
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  0.741  0.754  0.750  1.0
  Mn  Mn1  1  0.246  0.259  0.250  1.0
  Co  Co2  1  0.000  1.000  0.000  1.0
  Co  Co3  1  0.485  0.515  0.500  1.0
  Bi  Bi4  1  0.323  0.409  0.876  1.0
  Bi  Bi5  1  0.591  0.677  0.124  1.0
  Bi  Bi6  1  0.889  0.843  0.376  1.0
  Bi  Bi7  1  0.157  0.111  0.624  1.0
  O  O8  1  0.622  0.063  0.135  1.0
  O  O9  1  0.550  0.128  0.631  1.0
  O  O10  1  0.937  0.378  0.865  1.0
  O  O11  1  0.130  0.571  0.092  1.0
  O  O12  1  0.955  0.858  0.832  1.0
  O  O13  1  0.055  0.634  0.591  1.0
  O  O14  1  0.525  0.649  0.670  1.0
  O  O15  1  0.351  0.475  0.330  1.0
  O  O16  1  0.872  0.450  0.369  1.0
  O  O17  1  0.366  0.945  0.409  1.0
  O  O18  1  0.142  0.045  0.168  1.0
  O  O19  1  0.429  0.870  0.908  1.0
[/CIF]
.