The material described by PbAs2O4 crystallizes in the monoclinic P2_1/c space group. Pb(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.879
_cell_length_b   6.184
_cell_length_c   7.091
_cell_angle_alpha   67.376
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.874
_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
  As  As0  1  0.919  0.290  0.286  1.0
  As  As1  1  0.419  0.210  0.714  1.0
  As  As2  1  0.081  0.710  0.714  1.0
  As  As3  1  0.581  0.790  0.286  1.0
  As  As4  1  0.857  0.492  0.621  1.0
  As  As5  1  0.357  0.008  0.379  1.0
  As  As6  1  0.143  0.508  0.379  1.0
  As  As7  1  0.643  0.992  0.621  1.0
  Pb  Pb8  1  0.652  0.405  0.013  1.0
  Pb  Pb9  1  0.152  0.095  0.987  1.0
  Pb  Pb10  1  0.348  0.595  0.987  1.0
  Pb  Pb11  1  0.848  0.905  0.013  1.0
  O  O12  1  0.912  0.256  0.551  1.0
  O  O13  1  0.412  0.244  0.449  1.0
  O  O14  1  0.088  0.744  0.449  1.0
  O  O15  1  0.588  0.756  0.551  1.0
  O  O16  1  0.974  0.481  0.791  1.0
  O  O17  1  0.474  0.019  0.209  1.0
  O  O18  1  0.026  0.519  0.209  1.0
  O  O19  1  0.526  0.981  0.791  1.0
  O  O20  1  0.804  0.477  0.187  1.0
  O  O21  1  0.304  0.023  0.813  1.0
  O  O22  1  0.196  0.523  0.813  1.0
  O  O23  1  0.696  0.977  0.187  1.0
  O  O24  1  0.729  0.800  0.812  1.0
  O  O25  1  0.229  0.700  0.188  1.0
  O  O26  1  0.271  0.200  0.188  1.0
  O  O27  1  0.771  0.300  0.812  1.0
[/CIF]
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The material described by PbAs2O4 crystallizes in the monoclinic P2_1/c space group. Pb(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_As2PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.879
_cell_length_b   6.184
_cell_length_c   7.091
_cell_angle_alpha   67.376
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.874
_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
  As  As0  1  0.919  0.290  0.286  1.0
  As  As1  1  0.419  0.210  0.714  1.0
  As  As2  1  0.081  0.710  0.714  1.0
  As  As3  1  0.581  0.790  0.286  1.0
  As  As4  1  0.857  0.492  0.621  1.0
  As  As5  1  0.357  0.008  0.379  1.0
  As  As6  1  0.143  0.508  0.379  1.0
  As  As7  1  0.643  0.992  0.621  1.0
  Pb  Pb8  1  0.652  0.405  0.013  1.0
  Pb  Pb9  1  0.152  0.095  0.987  1.0
  Pb  Pb10  1  0.348  0.595  0.987  1.0
  Pb  Pb11  1  0.848  0.905  0.013  1.0
  O  O12  1  0.912  0.256  0.551  1.0
  O  O13  1  0.412  0.244  0.449  1.0
  O  O14  1  0.088  0.744  0.449  1.0
  O  O15  1  0.588  0.756  0.551  1.0
  O  O16  1  0.974  0.481  0.791  1.0
  O  O17  1  0.474  0.019  0.209  1.0
  O  O18  1  0.026  0.519  0.209  1.0
  O  O19  1  0.526  0.981  0.791  1.0
  O  O20  1  0.804  0.477  0.187  1.0
  O  O21  1  0.304  0.023  0.813  1.0
  O  O22  1  0.196  0.523  0.813  1.0
  O  O23  1  0.696  0.977  0.187  1.0
  O  O24  1  0.729  0.800  0.812  1.0
  O  O25  1  0.229  0.700  0.188  1.0
  O  O26  1  0.271  0.200  0.188  1.0
  O  O27  1  0.771  0.300  0.812  1.0
[/CIF]
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