The material described by LaMn2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Mn(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent Mn(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form distorted corner-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.914
_cell_length_c   7.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   253.509
_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
  La  La0  1  0.488  0.439  0.750  1.0
  La  La1  1  0.012  0.939  0.750  1.0
  Mn  Mn2  1  0.002  0.500  0.002  1.0
  Mn  Mn3  1  0.498  1.000  0.498  1.0
  Mn  Mn4  1  0.002  0.500  0.498  1.0
  Mn  Mn5  1  0.498  1.000  0.002  1.0
  Bi  Bi6  1  0.512  0.568  0.250  1.0
  Bi  Bi7  1  0.988  0.068  0.250  1.0
  O  O8  1  0.284  0.686  0.544  1.0
  O  O9  1  0.216  0.186  0.956  1.0
  O  O10  1  0.714  0.317  0.046  1.0
  O  O11  1  0.786  0.817  0.454  1.0
  O  O12  1  0.714  0.317  0.454  1.0
  O  O13  1  0.786  0.817  0.046  1.0
  O  O14  1  0.284  0.686  0.956  1.0
  O  O15  1  0.216  0.186  0.544  1.0
  O  O16  1  0.401  0.968  0.250  1.0
  O  O17  1  0.099  0.468  0.250  1.0
  O  O18  1  0.586  0.021  0.750  1.0
  O  O19  1  0.914  0.521  0.750  1.0
[/CIF]
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The material described by LaMn2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Mn(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent Mn(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to two equivalent Mn(1) and two equivalent Bi(1) atoms to form distorted corner-sharing OMn2Bi2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMn2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.914
_cell_length_c   7.724
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   253.509
_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
  La  La0  1  0.488  0.439  0.750  1.0
  La  La1  1  0.012  0.939  0.750  1.0
  Mn  Mn2  1  0.002  0.500  0.002  1.0
  Mn  Mn3  1  0.498  1.000  0.498  1.0
  Mn  Mn4  1  0.002  0.500  0.498  1.0
  Mn  Mn5  1  0.498  1.000  0.002  1.0
  Bi  Bi6  1  0.512  0.568  0.250  1.0
  Bi  Bi7  1  0.988  0.068  0.250  1.0
  O  O8  1  0.284  0.686  0.544  1.0
  O  O9  1  0.216  0.186  0.956  1.0
  O  O10  1  0.714  0.317  0.046  1.0
  O  O11  1  0.786  0.817  0.454  1.0
  O  O12  1  0.714  0.317  0.454  1.0
  O  O13  1  0.786  0.817  0.046  1.0
  O  O14  1  0.284  0.686  0.956  1.0
  O  O15  1  0.216  0.186  0.544  1.0
  O  O16  1  0.401  0.968  0.250  1.0
  O  O17  1  0.099  0.468  0.250  1.0
  O  O18  1  0.586  0.021  0.750  1.0
  O  O19  1  0.914  0.521  0.750  1.0
[/CIF]
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