The structure described by Ba2P2O7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and four equivalent O(4) 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(5), and two equivalent O(4) 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 one Ba(1), two equivalent Ba(2), and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent 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 card [CIF]
data_Ba2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   9.423
_cell_length_c   14.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.891
_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  0.360  0.083  1.0
  Ba  Ba1  1  0.250  0.860  0.417  1.0
  Ba  Ba2  1  0.750  0.640  0.917  1.0
  Ba  Ba3  1  0.750  0.140  0.583  1.0
  Ba  Ba4  1  0.250  0.341  0.755  1.0
  Ba  Ba5  1  0.250  0.841  0.745  1.0
  Ba  Ba6  1  0.750  0.659  0.245  1.0
  Ba  Ba7  1  0.750  0.159  0.255  1.0
  P  P8  1  0.250  0.718  0.043  1.0
  P  P9  1  0.250  0.218  0.457  1.0
  P  P10  1  0.750  0.282  0.957  1.0
  P  P11  1  0.750  0.782  0.543  1.0
  P  P12  1  0.250  0.953  0.185  1.0
  P  P13  1  0.250  0.453  0.315  1.0
  P  P14  1  0.750  0.047  0.815  1.0
  P  P15  1  0.750  0.547  0.685  1.0
  O  O16  1  0.027  0.644  0.080  1.0
  O  O17  1  0.473  0.144  0.420  1.0
  O  O18  1  0.527  0.356  0.920  1.0
  O  O19  1  0.973  0.856  0.580  1.0
  O  O20  1  0.973  0.356  0.920  1.0
  O  O21  1  0.527  0.856  0.580  1.0
  O  O22  1  0.473  0.644  0.080  1.0
  O  O23  1  0.027  0.144  0.420  1.0
  O  O24  1  0.250  0.728  0.933  1.0
  O  O25  1  0.250  0.228  0.567  1.0
  O  O26  1  0.750  0.272  0.067  1.0
  O  O27  1  0.750  0.772  0.433  1.0
  O  O28  1  0.250  0.881  0.079  1.0
  O  O29  1  0.250  0.381  0.421  1.0
  O  O30  1  0.750  0.119  0.921  1.0
  O  O31  1  0.750  0.619  0.579  1.0
  O  O32  1  0.027  0.904  0.238  1.0
  O  O33  1  0.473  0.404  0.262  1.0
  O  O34  1  0.527  0.096  0.762  1.0
  O  O35  1  0.973  0.596  0.738  1.0
  O  O36  1  0.973  0.096  0.762  1.0
  O  O37  1  0.527  0.596  0.738  1.0
  O  O38  1  0.473  0.904  0.238  1.0
  O  O39  1  0.027  0.404  0.262  1.0
  O  O40  1  0.250  0.113  0.167  1.0
  O  O41  1  0.250  0.613  0.333  1.0
  O  O42  1  0.750  0.887  0.833  1.0
  O  O43  1  0.750  0.387  0.667  1.0
[/CIF]
.
The structure described by Ba2P2O7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and four equivalent O(4) 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(5), and two equivalent O(4) 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 one Ba(1), two equivalent Ba(2), and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent 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 card [CIF]
data_Ba2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   9.423
_cell_length_c   14.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.891
_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  0.360  0.083  1.0
  Ba  Ba1  1  0.250  0.860  0.417  1.0
  Ba  Ba2  1  0.750  0.640  0.917  1.0
  Ba  Ba3  1  0.750  0.140  0.583  1.0
  Ba  Ba4  1  0.250  0.341  0.755  1.0
  Ba  Ba5  1  0.250  0.841  0.745  1.0
  Ba  Ba6  1  0.750  0.659  0.245  1.0
  Ba  Ba7  1  0.750  0.159  0.255  1.0
  P  P8  1  0.250  0.718  0.043  1.0
  P  P9  1  0.250  0.218  0.457  1.0
  P  P10  1  0.750  0.282  0.957  1.0
  P  P11  1  0.750  0.782  0.543  1.0
  P  P12  1  0.250  0.953  0.185  1.0
  P  P13  1  0.250  0.453  0.315  1.0
  P  P14  1  0.750  0.047  0.815  1.0
  P  P15  1  0.750  0.547  0.685  1.0
  O  O16  1  0.027  0.644  0.080  1.0
  O  O17  1  0.473  0.144  0.420  1.0
  O  O18  1  0.527  0.356  0.920  1.0
  O  O19  1  0.973  0.856  0.580  1.0
  O  O20  1  0.973  0.356  0.920  1.0
  O  O21  1  0.527  0.856  0.580  1.0
  O  O22  1  0.473  0.644  0.080  1.0
  O  O23  1  0.027  0.144  0.420  1.0
  O  O24  1  0.250  0.728  0.933  1.0
  O  O25  1  0.250  0.228  0.567  1.0
  O  O26  1  0.750  0.272  0.067  1.0
  O  O27  1  0.750  0.772  0.433  1.0
  O  O28  1  0.250  0.881  0.079  1.0
  O  O29  1  0.250  0.381  0.421  1.0
  O  O30  1  0.750  0.119  0.921  1.0
  O  O31  1  0.750  0.619  0.579  1.0
  O  O32  1  0.027  0.904  0.238  1.0
  O  O33  1  0.473  0.404  0.262  1.0
  O  O34  1  0.527  0.096  0.762  1.0
  O  O35  1  0.973  0.596  0.738  1.0
  O  O36  1  0.973  0.096  0.762  1.0
  O  O37  1  0.527  0.596  0.738  1.0
  O  O38  1  0.473  0.904  0.238  1.0
  O  O39  1  0.027  0.404  0.262  1.0
  O  O40  1  0.250  0.113  0.167  1.0
  O  O41  1  0.250  0.613  0.333  1.0
  O  O42  1  0.750  0.887  0.833  1.0
  O  O43  1  0.750  0.387  0.667  1.0
[/CIF]
.