The material described by Mn2Bi3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Mn(1) and three equivalent Bi(2) atoms to form distorted corner-sharing OMnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mn(1), one Bi(1), and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Bi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.692
_cell_length_b   10.692
_cell_length_c   5.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.340
_symmetry_Int_Tables_number   1
_cell_volume   348.145
_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  0.157  0.368  0.992  1.0
  Mn  Mn1  1  0.368  0.157  0.992  1.0
  Mn  Mn2  1  0.843  0.632  0.492  1.0
  Mn  Mn3  1  0.632  0.843  0.492  1.0
  Bi  Bi4  1  0.161  0.161  0.583  1.0
  Bi  Bi5  1  0.839  0.839  0.083  1.0
  Bi  Bi6  1  0.587  0.957  0.968  1.0
  Bi  Bi7  1  0.957  0.587  0.968  1.0
  Bi  Bi8  1  0.413  0.043  0.468  1.0
  Bi  Bi9  1  0.043  0.413  0.468  1.0
  O  O10  1  0.788  0.788  0.468  1.0
  O  O11  1  0.212  0.212  0.968  1.0
  O  O12  1  0.631  0.059  0.570  1.0
  O  O13  1  0.059  0.631  0.570  1.0
  O  O14  1  0.369  0.941  0.070  1.0
  O  O15  1  0.941  0.369  0.070  1.0
  O  O16  1  0.379  0.624  0.746  1.0
  O  O17  1  0.624  0.379  0.746  1.0
  O  O18  1  0.621  0.376  0.246  1.0
  O  O19  1  0.376  0.621  0.246  1.0
  O  O20  1  0.927  0.118  0.714  1.0
  O  O21  1  0.118  0.927  0.714  1.0
  O  O22  1  0.073  0.882  0.214  1.0
  O  O23  1  0.882  0.073  0.214  1.0
[/CIF]
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The material described by Mn2Bi3O7 crystallizes in the orthorhombic Cmc2_1 space group. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to two equivalent O(3), two equivalent O(4), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Mn(1) and three equivalent Bi(2) atoms to form distorted corner-sharing OMnBi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Mn(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mn(1), one Bi(1), and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Bi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.692
_cell_length_b   10.692
_cell_length_c   5.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   148.340
_symmetry_Int_Tables_number   1
_cell_volume   348.145
_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  0.157  0.368  0.992  1.0
  Mn  Mn1  1  0.368  0.157  0.992  1.0
  Mn  Mn2  1  0.843  0.632  0.492  1.0
  Mn  Mn3  1  0.632  0.843  0.492  1.0
  Bi  Bi4  1  0.161  0.161  0.583  1.0
  Bi  Bi5  1  0.839  0.839  0.083  1.0
  Bi  Bi6  1  0.587  0.957  0.968  1.0
  Bi  Bi7  1  0.957  0.587  0.968  1.0
  Bi  Bi8  1  0.413  0.043  0.468  1.0
  Bi  Bi9  1  0.043  0.413  0.468  1.0
  O  O10  1  0.788  0.788  0.468  1.0
  O  O11  1  0.212  0.212  0.968  1.0
  O  O12  1  0.631  0.059  0.570  1.0
  O  O13  1  0.059  0.631  0.570  1.0
  O  O14  1  0.369  0.941  0.070  1.0
  O  O15  1  0.941  0.369  0.070  1.0
  O  O16  1  0.379  0.624  0.746  1.0
  O  O17  1  0.624  0.379  0.746  1.0
  O  O18  1  0.621  0.376  0.246  1.0
  O  O19  1  0.376  0.621  0.246  1.0
  O  O20  1  0.927  0.118  0.714  1.0
  O  O21  1  0.118  0.927  0.714  1.0
  O  O22  1  0.073  0.882  0.214  1.0
  O  O23  1  0.882  0.073  0.214  1.0
[/CIF]
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