The structure described by Ba3P4O13 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(6), one O(7), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(5), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(4), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba3P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   8.676
_cell_length_c   10.623
_cell_angle_alpha   108.001
_cell_angle_beta   104.576
_cell_angle_gamma   102.511
_symmetry_Int_Tables_number   1
_cell_volume   611.358
_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
  Ba  Ba0  1  0.148  0.229  0.229  1.0
  Ba  Ba1  1  0.852  0.771  0.771  1.0
  Ba  Ba2  1  0.633  0.222  0.729  1.0
  Ba  Ba3  1  0.367  0.778  0.271  1.0
  Ba  Ba4  1  0.000  0.000  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.153  0.521  0.865  1.0
  P  P7  1  0.847  0.479  0.135  1.0
  P  P8  1  0.337  0.461  0.634  1.0
  P  P9  1  0.663  0.539  0.366  1.0
  P  P10  1  0.328  0.797  0.637  1.0
  P  P11  1  0.672  0.203  0.363  1.0
  P  P12  1  0.841  0.817  0.145  1.0
  P  P13  1  0.159  0.183  0.855  1.0
  O  O14  1  0.298  0.166  0.776  1.0
  O  O15  1  0.702  0.834  0.224  1.0
  O  O16  1  0.950  0.106  0.757  1.0
  O  O17  1  0.050  0.894  0.243  1.0
  O  O18  1  0.190  0.119  0.973  1.0
  O  O19  1  0.810  0.881  0.027  1.0
  O  O20  1  0.200  0.388  0.931  1.0
  O  O21  1  0.800  0.612  0.069  1.0
  O  O22  1  0.704  0.142  0.484  1.0
  O  O23  1  0.296  0.858  0.516  1.0
  O  O24  1  0.820  0.199  0.292  1.0
  O  O25  1  0.180  0.801  0.708  1.0
  O  O26  1  0.467  0.115  0.260  1.0
  O  O27  1  0.533  0.885  0.740  1.0
  O  O28  1  0.694  0.407  0.438  1.0
  O  O29  1  0.306  0.593  0.562  1.0
  O  O30  1  0.284  0.693  0.970  1.0
  O  O31  1  0.716  0.307  0.030  1.0
  O  O32  1  0.734  0.712  0.483  1.0
  O  O33  1  0.266  0.288  0.517  1.0
  O  O34  1  0.462  0.484  0.269  1.0
  O  O35  1  0.538  0.516  0.731  1.0
  O  O36  1  0.807  0.537  0.280  1.0
  O  O37  1  0.193  0.463  0.720  1.0
  O  O38  1  0.944  0.499  0.822  1.0
  O  O39  1  0.056  0.501  0.178  1.0
[/CIF]
.
The structure described by Ba3P4O13 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(6), one O(7), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(2), one O(5), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(4), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(4), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Ba3P4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.606
_cell_length_b   8.676
_cell_length_c   10.623
_cell_angle_alpha   108.001
_cell_angle_beta   104.576
_cell_angle_gamma   102.511
_symmetry_Int_Tables_number   1
_cell_volume   611.358
_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
  Ba  Ba0  1  0.148  0.229  0.229  1.0
  Ba  Ba1  1  0.852  0.771  0.771  1.0
  Ba  Ba2  1  0.633  0.222  0.729  1.0
  Ba  Ba3  1  0.367  0.778  0.271  1.0
  Ba  Ba4  1  0.000  0.000  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.000  1.0
  P  P6  1  0.153  0.521  0.865  1.0
  P  P7  1  0.847  0.479  0.135  1.0
  P  P8  1  0.337  0.461  0.634  1.0
  P  P9  1  0.663  0.539  0.366  1.0
  P  P10  1  0.328  0.797  0.637  1.0
  P  P11  1  0.672  0.203  0.363  1.0
  P  P12  1  0.841  0.817  0.145  1.0
  P  P13  1  0.159  0.183  0.855  1.0
  O  O14  1  0.298  0.166  0.776  1.0
  O  O15  1  0.702  0.834  0.224  1.0
  O  O16  1  0.950  0.106  0.757  1.0
  O  O17  1  0.050  0.894  0.243  1.0
  O  O18  1  0.190  0.119  0.973  1.0
  O  O19  1  0.810  0.881  0.027  1.0
  O  O20  1  0.200  0.388  0.931  1.0
  O  O21  1  0.800  0.612  0.069  1.0
  O  O22  1  0.704  0.142  0.484  1.0
  O  O23  1  0.296  0.858  0.516  1.0
  O  O24  1  0.820  0.199  0.292  1.0
  O  O25  1  0.180  0.801  0.708  1.0
  O  O26  1  0.467  0.115  0.260  1.0
  O  O27  1  0.533  0.885  0.740  1.0
  O  O28  1  0.694  0.407  0.438  1.0
  O  O29  1  0.306  0.593  0.562  1.0
  O  O30  1  0.284  0.693  0.970  1.0
  O  O31  1  0.716  0.307  0.030  1.0
  O  O32  1  0.734  0.712  0.483  1.0
  O  O33  1  0.266  0.288  0.517  1.0
  O  O34  1  0.462  0.484  0.269  1.0
  O  O35  1  0.538  0.516  0.731  1.0
  O  O36  1  0.807  0.537  0.280  1.0
  O  O37  1  0.193  0.463  0.720  1.0
  O  O38  1  0.944  0.499  0.822  1.0
  O  O39  1  0.056  0.501  0.178  1.0
[/CIF]
.