The material structure described by PbFeBO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing FeO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OFe2Pb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   7.004
_cell_length_c   8.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.211
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.000  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  B  B4  1  0.250  0.779  0.734  1.0
  B  B5  1  0.250  0.279  0.766  1.0
  B  B6  1  0.750  0.721  0.234  1.0
  B  B7  1  0.750  0.221  0.266  1.0
  Pb  Pb8  1  0.250  0.560  0.144  1.0
  Pb  Pb9  1  0.750  0.440  0.856  1.0
  Pb  Pb10  1  0.250  0.060  0.356  1.0
  Pb  Pb11  1  0.750  0.940  0.644  1.0
  O  O12  1  0.050  0.330  0.695  1.0
  O  O13  1  0.550  0.670  0.305  1.0
  O  O14  1  0.450  0.830  0.805  1.0
  O  O15  1  0.950  0.170  0.195  1.0
  O  O16  1  0.250  0.182  0.909  1.0
  O  O17  1  0.750  0.318  0.409  1.0
  O  O18  1  0.750  0.818  0.091  1.0
  O  O19  1  0.250  0.682  0.591  1.0
  O  O20  1  0.250  0.893  0.116  1.0
  O  O21  1  0.750  0.107  0.884  1.0
  O  O22  1  0.250  0.393  0.384  1.0
  O  O23  1  0.750  0.607  0.616  1.0
  O  O24  1  0.050  0.830  0.805  1.0
  O  O25  1  0.550  0.170  0.195  1.0
  O  O26  1  0.450  0.330  0.695  1.0
  O  O27  1  0.950  0.670  0.305  1.0
[/CIF]
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The material structure described by PbFeBO4 crystallizes in the orthorhombic Pnma space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing FeO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OFe2Pb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.973
_cell_length_b   7.004
_cell_length_c   8.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   352.211
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.000  0.500  0.500  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  B  B4  1  0.250  0.779  0.734  1.0
  B  B5  1  0.250  0.279  0.766  1.0
  B  B6  1  0.750  0.721  0.234  1.0
  B  B7  1  0.750  0.221  0.266  1.0
  Pb  Pb8  1  0.250  0.560  0.144  1.0
  Pb  Pb9  1  0.750  0.440  0.856  1.0
  Pb  Pb10  1  0.250  0.060  0.356  1.0
  Pb  Pb11  1  0.750  0.940  0.644  1.0
  O  O12  1  0.050  0.330  0.695  1.0
  O  O13  1  0.550  0.670  0.305  1.0
  O  O14  1  0.450  0.830  0.805  1.0
  O  O15  1  0.950  0.170  0.195  1.0
  O  O16  1  0.250  0.182  0.909  1.0
  O  O17  1  0.750  0.318  0.409  1.0
  O  O18  1  0.750  0.818  0.091  1.0
  O  O19  1  0.250  0.682  0.591  1.0
  O  O20  1  0.250  0.893  0.116  1.0
  O  O21  1  0.750  0.107  0.884  1.0
  O  O22  1  0.250  0.393  0.384  1.0
  O  O23  1  0.750  0.607  0.616  1.0
  O  O24  1  0.050  0.830  0.805  1.0
  O  O25  1  0.550  0.170  0.195  1.0
  O  O26  1  0.450  0.330  0.695  1.0
  O  O27  1  0.950  0.670  0.305  1.0
[/CIF]
.