The material structure described by BaPbP2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(5) atoms. Pb(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Pb(1), and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Pb(1), and one P(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Pb(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_BaP2PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   9.130
_cell_length_c   13.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.710
_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  0.750  0.158  0.260  1.0
  Ba  Ba1  1  0.250  0.842  0.740  1.0
  Ba  Ba2  1  0.750  0.658  0.240  1.0
  Ba  Ba3  1  0.250  0.342  0.760  1.0
  P  P4  1  0.750  0.283  0.966  1.0
  P  P5  1  0.250  0.717  0.034  1.0
  P  P6  1  0.750  0.783  0.534  1.0
  P  P7  1  0.250  0.217  0.466  1.0
  P  P8  1  0.750  0.043  0.821  1.0
  P  P9  1  0.250  0.957  0.179  1.0
  P  P10  1  0.750  0.543  0.679  1.0
  P  P11  1  0.250  0.457  0.321  1.0
  Pb  Pb12  1  0.250  0.363  0.088  1.0
  Pb  Pb13  1  0.750  0.637  0.912  1.0
  Pb  Pb14  1  0.250  0.863  0.412  1.0
  Pb  Pb15  1  0.750  0.137  0.588  1.0
  O  O16  1  0.973  0.357  0.926  1.0
  O  O17  1  0.473  0.643  0.074  1.0
  O  O18  1  0.527  0.857  0.574  1.0
  O  O19  1  0.027  0.143  0.426  1.0
  O  O20  1  0.027  0.643  0.074  1.0
  O  O21  1  0.527  0.357  0.926  1.0
  O  O22  1  0.473  0.143  0.426  1.0
  O  O23  1  0.973  0.857  0.574  1.0
  O  O24  1  0.750  0.277  0.078  1.0
  O  O25  1  0.250  0.723  0.922  1.0
  O  O26  1  0.750  0.777  0.422  1.0
  O  O27  1  0.250  0.223  0.578  1.0
  O  O28  1  0.750  0.115  0.929  1.0
  O  O29  1  0.250  0.885  0.071  1.0
  O  O30  1  0.750  0.615  0.571  1.0
  O  O31  1  0.250  0.385  0.429  1.0
  O  O32  1  0.750  0.879  0.837  1.0
  O  O33  1  0.250  0.121  0.163  1.0
  O  O34  1  0.750  0.379  0.663  1.0
  O  O35  1  0.250  0.621  0.337  1.0
  O  O36  1  0.528  0.094  0.766  1.0
  O  O37  1  0.028  0.906  0.234  1.0
  O  O38  1  0.972  0.594  0.734  1.0
  O  O39  1  0.472  0.406  0.266  1.0
  O  O40  1  0.472  0.906  0.234  1.0
  O  O41  1  0.972  0.094  0.766  1.0
  O  O42  1  0.028  0.406  0.266  1.0
  O  O43  1  0.528  0.594  0.734  1.0
[/CIF]
.
The material structure described by BaPbP2O7 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(5) atoms. Pb(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Pb(1), and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Pb(1), and one P(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Pb(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_BaP2PbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   9.130
_cell_length_c   13.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.710
_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  0.750  0.158  0.260  1.0
  Ba  Ba1  1  0.250  0.842  0.740  1.0
  Ba  Ba2  1  0.750  0.658  0.240  1.0
  Ba  Ba3  1  0.250  0.342  0.760  1.0
  P  P4  1  0.750  0.283  0.966  1.0
  P  P5  1  0.250  0.717  0.034  1.0
  P  P6  1  0.750  0.783  0.534  1.0
  P  P7  1  0.250  0.217  0.466  1.0
  P  P8  1  0.750  0.043  0.821  1.0
  P  P9  1  0.250  0.957  0.179  1.0
  P  P10  1  0.750  0.543  0.679  1.0
  P  P11  1  0.250  0.457  0.321  1.0
  Pb  Pb12  1  0.250  0.363  0.088  1.0
  Pb  Pb13  1  0.750  0.637  0.912  1.0
  Pb  Pb14  1  0.250  0.863  0.412  1.0
  Pb  Pb15  1  0.750  0.137  0.588  1.0
  O  O16  1  0.973  0.357  0.926  1.0
  O  O17  1  0.473  0.643  0.074  1.0
  O  O18  1  0.527  0.857  0.574  1.0
  O  O19  1  0.027  0.143  0.426  1.0
  O  O20  1  0.027  0.643  0.074  1.0
  O  O21  1  0.527  0.357  0.926  1.0
  O  O22  1  0.473  0.143  0.426  1.0
  O  O23  1  0.973  0.857  0.574  1.0
  O  O24  1  0.750  0.277  0.078  1.0
  O  O25  1  0.250  0.723  0.922  1.0
  O  O26  1  0.750  0.777  0.422  1.0
  O  O27  1  0.250  0.223  0.578  1.0
  O  O28  1  0.750  0.115  0.929  1.0
  O  O29  1  0.250  0.885  0.071  1.0
  O  O30  1  0.750  0.615  0.571  1.0
  O  O31  1  0.250  0.385  0.429  1.0
  O  O32  1  0.750  0.879  0.837  1.0
  O  O33  1  0.250  0.121  0.163  1.0
  O  O34  1  0.750  0.379  0.663  1.0
  O  O35  1  0.250  0.621  0.337  1.0
  O  O36  1  0.528  0.094  0.766  1.0
  O  O37  1  0.028  0.906  0.234  1.0
  O  O38  1  0.972  0.594  0.734  1.0
  O  O39  1  0.472  0.406  0.266  1.0
  O  O40  1  0.472  0.906  0.234  1.0
  O  O41  1  0.972  0.094  0.766  1.0
  O  O42  1  0.028  0.406  0.266  1.0
  O  O43  1  0.528  0.594  0.734  1.0
[/CIF]
.