The compound described by PbHPO4 crystallizes in the monoclinic P2/c space group. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(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. is represented by the Crystallographic Information File (CIF) [CIF]
data_PHPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   4.797
_cell_length_c   5.851
_cell_angle_alpha   82.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.676
_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  0.711  0.000  0.750  1.0
  P  P1  1  0.289  0.000  0.250  1.0
  H  H2  1  0.000  0.000  0.500  1.0
  H  H3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.301  0.500  0.750  1.0
  Pb  Pb5  1  0.699  0.500  0.250  1.0
  O  O6  1  0.581  0.758  0.871  1.0
  O  O7  1  0.419  0.242  0.129  1.0
  O  O8  1  0.581  0.242  0.629  1.0
  O  O9  1  0.419  0.758  0.371  1.0
  O  O10  1  0.847  0.882  0.566  1.0
  O  O11  1  0.153  0.118  0.434  1.0
  O  O12  1  0.847  0.118  0.934  1.0
  O  O13  1  0.153  0.882  0.066  1.0
[/CIF]
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The compound described by PbHPO4 crystallizes in the monoclinic P2/c space group. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. H(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(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. is represented by the Crystallographic Information File (CIF) [CIF]
data_PHPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   4.797
_cell_length_c   5.851
_cell_angle_alpha   82.941
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.676
_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  0.711  0.000  0.750  1.0
  P  P1  1  0.289  0.000  0.250  1.0
  H  H2  1  0.000  0.000  0.500  1.0
  H  H3  1  0.000  0.000  0.000  1.0
  Pb  Pb4  1  0.301  0.500  0.750  1.0
  Pb  Pb5  1  0.699  0.500  0.250  1.0
  O  O6  1  0.581  0.758  0.871  1.0
  O  O7  1  0.419  0.242  0.129  1.0
  O  O8  1  0.581  0.242  0.629  1.0
  O  O9  1  0.419  0.758  0.371  1.0
  O  O10  1  0.847  0.882  0.566  1.0
  O  O11  1  0.153  0.118  0.434  1.0
  O  O12  1  0.847  0.118  0.934  1.0
  O  O13  1  0.153  0.882  0.066  1.0
[/CIF]
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