The crystal structure described by PbHPO4 crystallizes in the monoclinic Pc space group. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PHPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.635
_cell_length_b   4.789
_cell_length_c   5.853
_cell_angle_alpha   83.275
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.713
_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
  P  P0  1  0.789  0.494  0.250  1.0
  P  P1  1  0.211  0.494  0.750  1.0
  H  H2  1  0.488  0.503  0.998  1.0
  H  H3  1  0.512  0.503  0.498  1.0
  Pb  Pb4  1  0.202  0.999  0.254  1.0
  Pb  Pb5  1  0.798  0.999  0.754  1.0
  O  O6  1  0.650  0.371  0.072  1.0
  O  O7  1  0.654  0.619  0.437  1.0
  O  O8  1  0.346  0.619  0.937  1.0
  O  O9  1  0.350  0.371  0.572  1.0
  O  O10  1  0.922  0.258  0.375  1.0
  O  O11  1  0.917  0.739  0.129  1.0
  O  O12  1  0.083  0.739  0.629  1.0
  O  O13  1  0.078  0.258  0.875  1.0
[/CIF]
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The crystal structure described by PbHPO4 crystallizes in the monoclinic Pc space group. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PHPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.635
_cell_length_b   4.789
_cell_length_c   5.853
_cell_angle_alpha   83.275
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   184.713
_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
  P  P0  1  0.789  0.494  0.250  1.0
  P  P1  1  0.211  0.494  0.750  1.0
  H  H2  1  0.488  0.503  0.998  1.0
  H  H3  1  0.512  0.503  0.498  1.0
  Pb  Pb4  1  0.202  0.999  0.254  1.0
  Pb  Pb5  1  0.798  0.999  0.754  1.0
  O  O6  1  0.650  0.371  0.072  1.0
  O  O7  1  0.654  0.619  0.437  1.0
  O  O8  1  0.346  0.619  0.937  1.0
  O  O9  1  0.350  0.371  0.572  1.0
  O  O10  1  0.922  0.258  0.375  1.0
  O  O11  1  0.917  0.739  0.129  1.0
  O  O12  1  0.083  0.739  0.629  1.0
  O  O13  1  0.078  0.258  0.875  1.0
[/CIF]
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