The compound described by Bi2NiMnO6 is Ilmenite-derived structured and crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OMnNiBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNi(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   5.512
_cell_length_c   9.727
_cell_angle_alpha   74.645
_cell_angle_beta   74.645
_cell_angle_gamma   59.671
_symmetry_Int_Tables_number   1
_cell_volume   242.865
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.763  0.237  0.750  1.0
  Ni  Ni3  1  0.237  0.763  0.250  1.0
  Bi  Bi4  1  0.906  0.365  0.378  1.0
  Bi  Bi5  1  0.635  0.094  0.122  1.0
  Bi  Bi6  1  0.094  0.635  0.622  1.0
  Bi  Bi7  1  0.365  0.906  0.878  1.0
  O  O8  1  0.897  0.280  0.920  1.0
  O  O9  1  0.720  0.103  0.580  1.0
  O  O10  1  0.103  0.720  0.080  1.0
  O  O11  1  0.280  0.897  0.420  1.0
  O  O12  1  0.621  0.697  0.112  1.0
  O  O13  1  0.303  0.379  0.388  1.0
  O  O14  1  0.808  0.882  0.340  1.0
  O  O15  1  0.118  0.192  0.160  1.0
  O  O16  1  0.882  0.808  0.840  1.0
  O  O17  1  0.192  0.118  0.660  1.0
  O  O18  1  0.697  0.621  0.612  1.0
  O  O19  1  0.379  0.303  0.888  1.0
[/CIF]
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The compound described by Bi2NiMnO6 is Ilmenite-derived structured and crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OMnNiBi2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNi(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.512
_cell_length_b   5.512
_cell_length_c   9.727
_cell_angle_alpha   74.645
_cell_angle_beta   74.645
_cell_angle_gamma   59.671
_symmetry_Int_Tables_number   1
_cell_volume   242.865
_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  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.763  0.237  0.750  1.0
  Ni  Ni3  1  0.237  0.763  0.250  1.0
  Bi  Bi4  1  0.906  0.365  0.378  1.0
  Bi  Bi5  1  0.635  0.094  0.122  1.0
  Bi  Bi6  1  0.094  0.635  0.622  1.0
  Bi  Bi7  1  0.365  0.906  0.878  1.0
  O  O8  1  0.897  0.280  0.920  1.0
  O  O9  1  0.720  0.103  0.580  1.0
  O  O10  1  0.103  0.720  0.080  1.0
  O  O11  1  0.280  0.897  0.420  1.0
  O  O12  1  0.621  0.697  0.112  1.0
  O  O13  1  0.303  0.379  0.388  1.0
  O  O14  1  0.808  0.882  0.340  1.0
  O  O15  1  0.118  0.192  0.160  1.0
  O  O16  1  0.882  0.808  0.840  1.0
  O  O17  1  0.192  0.118  0.660  1.0
  O  O18  1  0.697  0.621  0.612  1.0
  O  O19  1  0.379  0.303  0.888  1.0
[/CIF]
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