The material described by PbCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cr(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   7.734
_cell_length_c   8.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.248
_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
  Cr  Cr0  1  0.250  0.170  0.051  1.0
  Cr  Cr1  1  0.750  0.670  0.449  1.0
  Cr  Cr2  1  0.750  0.830  0.949  1.0
  Cr  Cr3  1  0.250  0.330  0.551  1.0
  Pb  Pb4  1  0.250  0.702  0.205  1.0
  Pb  Pb5  1  0.750  0.298  0.795  1.0
  Pb  Pb6  1  0.750  0.202  0.295  1.0
  Pb  Pb7  1  0.250  0.798  0.705  1.0
  O  O8  1  0.250  0.022  0.195  1.0
  O  O9  1  0.750  0.978  0.805  1.0
  O  O10  1  0.750  0.522  0.305  1.0
  O  O11  1  0.250  0.478  0.695  1.0
  O  O12  1  0.250  0.078  0.872  1.0
  O  O13  1  0.750  0.922  0.128  1.0
  O  O14  1  0.750  0.578  0.628  1.0
  O  O15  1  0.250  0.422  0.372  1.0
  O  O16  1  0.010  0.289  0.067  1.0
  O  O17  1  0.510  0.711  0.933  1.0
  O  O18  1  0.990  0.789  0.433  1.0
  O  O19  1  0.490  0.211  0.567  1.0
  O  O20  1  0.990  0.711  0.933  1.0
  O  O21  1  0.490  0.289  0.067  1.0
  O  O22  1  0.010  0.211  0.567  1.0
  O  O23  1  0.510  0.789  0.433  1.0
[/CIF]
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The material described by PbCrO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cr(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   7.734
_cell_length_c   8.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.248
_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
  Cr  Cr0  1  0.250  0.170  0.051  1.0
  Cr  Cr1  1  0.750  0.670  0.449  1.0
  Cr  Cr2  1  0.750  0.830  0.949  1.0
  Cr  Cr3  1  0.250  0.330  0.551  1.0
  Pb  Pb4  1  0.250  0.702  0.205  1.0
  Pb  Pb5  1  0.750  0.298  0.795  1.0
  Pb  Pb6  1  0.750  0.202  0.295  1.0
  Pb  Pb7  1  0.250  0.798  0.705  1.0
  O  O8  1  0.250  0.022  0.195  1.0
  O  O9  1  0.750  0.978  0.805  1.0
  O  O10  1  0.750  0.522  0.305  1.0
  O  O11  1  0.250  0.478  0.695  1.0
  O  O12  1  0.250  0.078  0.872  1.0
  O  O13  1  0.750  0.922  0.128  1.0
  O  O14  1  0.750  0.578  0.628  1.0
  O  O15  1  0.250  0.422  0.372  1.0
  O  O16  1  0.010  0.289  0.067  1.0
  O  O17  1  0.510  0.711  0.933  1.0
  O  O18  1  0.990  0.789  0.433  1.0
  O  O19  1  0.490  0.211  0.567  1.0
  O  O20  1  0.990  0.711  0.933  1.0
  O  O21  1  0.490  0.289  0.067  1.0
  O  O22  1  0.010  0.211  0.567  1.0
  O  O23  1  0.510  0.789  0.433  1.0
[/CIF]
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