The material structure described by LaFe2PbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Pb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), 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 Fe(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent Fe(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent Fe(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaFe2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.624
_cell_length_c   7.924
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.750
_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  0.992  0.781  0.500  1.0
  La  La1  1  0.492  0.219  0.000  1.0
  Fe  Fe2  1  0.999  0.254  0.751  1.0
  Fe  Fe3  1  0.499  0.746  0.251  1.0
  Fe  Fe4  1  0.999  0.254  0.249  1.0
  Fe  Fe5  1  0.499  0.746  0.749  1.0
  Pb  Pb6  1  0.508  0.278  0.500  1.0
  Pb  Pb7  1  0.008  0.722  0.000  1.0
  O  O8  1  0.214  0.964  0.795  1.0
  O  O9  1  0.286  0.464  0.207  1.0
  O  O10  1  0.786  0.536  0.293  1.0
  O  O11  1  0.714  0.036  0.705  1.0
  O  O12  1  0.786  0.536  0.707  1.0
  O  O13  1  0.714  0.036  0.295  1.0
  O  O14  1  0.214  0.964  0.205  1.0
  O  O15  1  0.286  0.464  0.793  1.0
  O  O16  1  0.418  0.736  0.500  1.0
  O  O17  1  0.085  0.229  0.500  1.0
  O  O18  1  0.585  0.771  0.000  1.0
  O  O19  1  0.918  0.264  0.000  1.0
[/CIF]
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The material structure described by LaFe2PbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Pb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), 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 Fe(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), two equivalent Fe(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent Fe(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), two equivalent Fe(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaFe2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.624
_cell_length_c   7.924
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.750
_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  0.992  0.781  0.500  1.0
  La  La1  1  0.492  0.219  0.000  1.0
  Fe  Fe2  1  0.999  0.254  0.751  1.0
  Fe  Fe3  1  0.499  0.746  0.251  1.0
  Fe  Fe4  1  0.999  0.254  0.249  1.0
  Fe  Fe5  1  0.499  0.746  0.749  1.0
  Pb  Pb6  1  0.508  0.278  0.500  1.0
  Pb  Pb7  1  0.008  0.722  0.000  1.0
  O  O8  1  0.214  0.964  0.795  1.0
  O  O9  1  0.286  0.464  0.207  1.0
  O  O10  1  0.786  0.536  0.293  1.0
  O  O11  1  0.714  0.036  0.705  1.0
  O  O12  1  0.786  0.536  0.707  1.0
  O  O13  1  0.714  0.036  0.295  1.0
  O  O14  1  0.214  0.964  0.205  1.0
  O  O15  1  0.286  0.464  0.793  1.0
  O  O16  1  0.418  0.736  0.500  1.0
  O  O17  1  0.085  0.229  0.500  1.0
  O  O18  1  0.585  0.771  0.000  1.0
  O  O19  1  0.918  0.264  0.000  1.0
[/CIF]
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