The material described by BaP2(HO4)2 crystallizes in the orthorhombic Pccn space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) 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 distorted single-bond geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one H(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the third O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(1) and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BaP2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.774
_cell_length_c   10.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.201
_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
  Ba  Ba0  1  0.250  0.401  0.250  1.0
  Ba  Ba1  1  0.750  0.099  0.750  1.0
  Ba  Ba2  1  0.750  0.599  0.750  1.0
  Ba  Ba3  1  0.250  0.901  0.250  1.0
  P  P4  1  0.932  0.210  0.428  1.0
  P  P5  1  0.568  0.210  0.072  1.0
  P  P6  1  0.068  0.290  0.928  1.0
  P  P7  1  0.432  0.290  0.572  1.0
  P  P8  1  0.068  0.790  0.572  1.0
  P  P9  1  0.432  0.790  0.928  1.0
  P  P10  1  0.932  0.710  0.072  1.0
  P  P11  1  0.568  0.710  0.428  1.0
  H  H12  1  0.675  0.945  0.389  1.0
  H  H13  1  0.825  0.945  0.111  1.0
  H  H14  1  0.325  0.555  0.889  1.0
  H  H15  1  0.175  0.555  0.611  1.0
  H  H16  1  0.325  0.055  0.611  1.0
  H  H17  1  0.175  0.055  0.889  1.0
  H  H18  1  0.675  0.445  0.111  1.0
  H  H19  1  0.825  0.445  0.389  1.0
  O  O20  1  0.768  0.111  0.433  1.0
  O  O21  1  0.732  0.111  0.067  1.0
  O  O22  1  0.232  0.389  0.933  1.0
  O  O23  1  0.268  0.389  0.567  1.0
  O  O24  1  0.232  0.889  0.567  1.0
  O  O25  1  0.268  0.889  0.933  1.0
  O  O26  1  0.768  0.611  0.067  1.0
  O  O27  1  0.732  0.611  0.433  1.0
  O  O28  1  0.086  0.142  0.360  1.0
  O  O29  1  0.414  0.142  0.140  1.0
  O  O30  1  0.914  0.358  0.860  1.0
  O  O31  1  0.586  0.358  0.640  1.0
  O  O32  1  0.914  0.858  0.640  1.0
  O  O33  1  0.586  0.858  0.860  1.0
  O  O34  1  0.086  0.642  0.140  1.0
  O  O35  1  0.414  0.642  0.360  1.0
  O  O36  1  0.905  0.367  0.354  1.0
  O  O37  1  0.595  0.367  0.146  1.0
  O  O38  1  0.095  0.133  0.854  1.0
  O  O39  1  0.405  0.133  0.646  1.0
  O  O40  1  0.095  0.633  0.646  1.0
  O  O41  1  0.405  0.633  0.854  1.0
  O  O42  1  0.905  0.867  0.146  1.0
  O  O43  1  0.595  0.867  0.354  1.0
  O  O44  1  0.957  0.243  0.570  1.0
  O  O45  1  0.543  0.243  0.930  1.0
  O  O46  1  0.043  0.257  0.070  1.0
  O  O47  1  0.457  0.257  0.430  1.0
  O  O48  1  0.043  0.757  0.430  1.0
  O  O49  1  0.457  0.757  0.070  1.0
  O  O50  1  0.957  0.743  0.930  1.0
  O  O51  1  0.543  0.743  0.570  1.0
[/CIF]
.
The material described by BaP2(HO4)2 crystallizes in the orthorhombic Pccn space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) 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 distorted single-bond geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one H(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the third O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(1) and one H(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BaP2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.774
_cell_length_c   10.657
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   724.201
_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
  Ba  Ba0  1  0.250  0.401  0.250  1.0
  Ba  Ba1  1  0.750  0.099  0.750  1.0
  Ba  Ba2  1  0.750  0.599  0.750  1.0
  Ba  Ba3  1  0.250  0.901  0.250  1.0
  P  P4  1  0.932  0.210  0.428  1.0
  P  P5  1  0.568  0.210  0.072  1.0
  P  P6  1  0.068  0.290  0.928  1.0
  P  P7  1  0.432  0.290  0.572  1.0
  P  P8  1  0.068  0.790  0.572  1.0
  P  P9  1  0.432  0.790  0.928  1.0
  P  P10  1  0.932  0.710  0.072  1.0
  P  P11  1  0.568  0.710  0.428  1.0
  H  H12  1  0.675  0.945  0.389  1.0
  H  H13  1  0.825  0.945  0.111  1.0
  H  H14  1  0.325  0.555  0.889  1.0
  H  H15  1  0.175  0.555  0.611  1.0
  H  H16  1  0.325  0.055  0.611  1.0
  H  H17  1  0.175  0.055  0.889  1.0
  H  H18  1  0.675  0.445  0.111  1.0
  H  H19  1  0.825  0.445  0.389  1.0
  O  O20  1  0.768  0.111  0.433  1.0
  O  O21  1  0.732  0.111  0.067  1.0
  O  O22  1  0.232  0.389  0.933  1.0
  O  O23  1  0.268  0.389  0.567  1.0
  O  O24  1  0.232  0.889  0.567  1.0
  O  O25  1  0.268  0.889  0.933  1.0
  O  O26  1  0.768  0.611  0.067  1.0
  O  O27  1  0.732  0.611  0.433  1.0
  O  O28  1  0.086  0.142  0.360  1.0
  O  O29  1  0.414  0.142  0.140  1.0
  O  O30  1  0.914  0.358  0.860  1.0
  O  O31  1  0.586  0.358  0.640  1.0
  O  O32  1  0.914  0.858  0.640  1.0
  O  O33  1  0.586  0.858  0.860  1.0
  O  O34  1  0.086  0.642  0.140  1.0
  O  O35  1  0.414  0.642  0.360  1.0
  O  O36  1  0.905  0.367  0.354  1.0
  O  O37  1  0.595  0.367  0.146  1.0
  O  O38  1  0.095  0.133  0.854  1.0
  O  O39  1  0.405  0.133  0.646  1.0
  O  O40  1  0.095  0.633  0.646  1.0
  O  O41  1  0.405  0.633  0.854  1.0
  O  O42  1  0.905  0.867  0.146  1.0
  O  O43  1  0.595  0.867  0.354  1.0
  O  O44  1  0.957  0.243  0.570  1.0
  O  O45  1  0.543  0.243  0.930  1.0
  O  O46  1  0.043  0.257  0.070  1.0
  O  O47  1  0.457  0.257  0.430  1.0
  O  O48  1  0.043  0.757  0.430  1.0
  O  O49  1  0.457  0.757  0.070  1.0
  O  O50  1  0.957  0.743  0.930  1.0
  O  O51  1  0.543  0.743  0.570  1.0
[/CIF]
.