The structure described by Ba(PO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   7.537
_cell_length_c   11.814
_cell_angle_alpha   55.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.791
_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  0.097  0.320  0.824  1.0
  Ba  Ba1  1  0.403  0.320  0.324  1.0
  Ba  Ba2  1  0.597  0.680  0.676  1.0
  Ba  Ba3  1  0.903  0.680  0.176  1.0
  P  P4  1  0.107  0.956  0.664  1.0
  P  P5  1  0.204  0.707  0.422  1.0
  P  P6  1  0.607  0.044  0.836  1.0
  P  P7  1  0.796  0.293  0.578  1.0
  P  P8  1  0.704  0.293  0.078  1.0
  P  P9  1  0.296  0.707  0.922  1.0
  P  P10  1  0.393  0.956  0.164  1.0
  P  P11  1  0.893  0.044  0.336  1.0
  O  O12  1  0.225  0.615  0.063  1.0
  O  O13  1  0.029  0.212  0.316  1.0
  O  O14  1  0.499  0.181  0.102  1.0
  O  O15  1  0.999  0.819  0.398  1.0
  O  O16  1  0.159  0.907  0.815  1.0
  O  O17  1  0.341  0.907  0.315  1.0
  O  O18  1  0.001  0.181  0.602  1.0
  O  O19  1  0.818  0.435  0.627  1.0
  O  O20  1  0.725  0.385  0.437  1.0
  O  O21  1  0.841  0.093  0.185  1.0
  O  O22  1  0.775  0.385  0.937  1.0
  O  O23  1  0.790  0.001  0.913  1.0
  O  O24  1  0.275  0.615  0.563  1.0
  O  O25  1  0.182  0.565  0.373  1.0
  O  O26  1  0.529  0.788  0.184  1.0
  O  O27  1  0.710  0.001  0.413  1.0
  O  O28  1  0.290  0.999  0.587  1.0
  O  O29  1  0.659  0.093  0.685  1.0
  O  O30  1  0.471  0.212  0.816  1.0
  O  O31  1  0.501  0.819  0.898  1.0
  O  O32  1  0.210  0.999  0.087  1.0
  O  O33  1  0.318  0.565  0.873  1.0
  O  O34  1  0.971  0.788  0.684  1.0
  O  O35  1  0.682  0.435  0.127  1.0
[/CIF]
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The structure described by Ba(PO3)2 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.936
_cell_length_b   7.537
_cell_length_c   11.814
_cell_angle_alpha   55.148
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.791
_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  0.097  0.320  0.824  1.0
  Ba  Ba1  1  0.403  0.320  0.324  1.0
  Ba  Ba2  1  0.597  0.680  0.676  1.0
  Ba  Ba3  1  0.903  0.680  0.176  1.0
  P  P4  1  0.107  0.956  0.664  1.0
  P  P5  1  0.204  0.707  0.422  1.0
  P  P6  1  0.607  0.044  0.836  1.0
  P  P7  1  0.796  0.293  0.578  1.0
  P  P8  1  0.704  0.293  0.078  1.0
  P  P9  1  0.296  0.707  0.922  1.0
  P  P10  1  0.393  0.956  0.164  1.0
  P  P11  1  0.893  0.044  0.336  1.0
  O  O12  1  0.225  0.615  0.063  1.0
  O  O13  1  0.029  0.212  0.316  1.0
  O  O14  1  0.499  0.181  0.102  1.0
  O  O15  1  0.999  0.819  0.398  1.0
  O  O16  1  0.159  0.907  0.815  1.0
  O  O17  1  0.341  0.907  0.315  1.0
  O  O18  1  0.001  0.181  0.602  1.0
  O  O19  1  0.818  0.435  0.627  1.0
  O  O20  1  0.725  0.385  0.437  1.0
  O  O21  1  0.841  0.093  0.185  1.0
  O  O22  1  0.775  0.385  0.937  1.0
  O  O23  1  0.790  0.001  0.913  1.0
  O  O24  1  0.275  0.615  0.563  1.0
  O  O25  1  0.182  0.565  0.373  1.0
  O  O26  1  0.529  0.788  0.184  1.0
  O  O27  1  0.710  0.001  0.413  1.0
  O  O28  1  0.290  0.999  0.587  1.0
  O  O29  1  0.659  0.093  0.685  1.0
  O  O30  1  0.471  0.212  0.816  1.0
  O  O31  1  0.501  0.819  0.898  1.0
  O  O32  1  0.210  0.999  0.087  1.0
  O  O33  1  0.318  0.565  0.873  1.0
  O  O34  1  0.971  0.788  0.684  1.0
  O  O35  1  0.682  0.435  0.127  1.0
[/CIF]
.