The material structure described by BaMo2P4O16 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-51°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. is represented by the CIF file [CIF]
data_BaMo2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.606
_cell_length_b   6.548
_cell_length_c   9.350
_cell_angle_alpha   56.528
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.753
_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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Mo  Mo2  1  0.310  0.541  0.663  1.0
  Mo  Mo3  1  0.690  0.459  0.337  1.0
  Mo  Mo4  1  0.190  0.541  0.163  1.0
  Mo  Mo5  1  0.810  0.459  0.837  1.0
  P  P6  1  0.693  0.873  0.436  1.0
  P  P7  1  0.557  0.656  0.749  1.0
  P  P8  1  0.057  0.344  0.751  1.0
  P  P9  1  0.943  0.656  0.249  1.0
  P  P10  1  0.443  0.344  0.251  1.0
  P  P11  1  0.807  0.873  0.936  1.0
  P  P12  1  0.307  0.127  0.564  1.0
  P  P13  1  0.193  0.127  0.064  1.0
  O  O14  1  0.468  0.180  0.192  1.0
  O  O15  1  0.032  0.180  0.692  1.0
  O  O16  1  0.284  0.273  0.940  1.0
  O  O17  1  0.329  0.195  0.694  1.0
  O  O18  1  0.147  0.534  0.655  1.0
  O  O19  1  0.587  0.817  0.547  1.0
  O  O20  1  0.413  0.183  0.453  1.0
  O  O21  1  0.656  0.318  0.547  1.0
  O  O22  1  0.710  0.150  0.337  1.0
  O  O23  1  0.844  0.318  0.047  1.0
  O  O24  1  0.853  0.466  0.345  1.0
  O  O25  1  0.156  0.682  0.953  1.0
  O  O26  1  0.716  0.727  0.060  1.0
  O  O27  1  0.963  0.505  0.743  1.0
  O  O28  1  0.532  0.820  0.808  1.0
  O  O29  1  0.290  0.850  0.663  1.0
  O  O30  1  0.344  0.682  0.453  1.0
  O  O31  1  0.829  0.805  0.806  1.0
  O  O32  1  0.463  0.495  0.757  1.0
  O  O33  1  0.087  0.183  0.953  1.0
  O  O34  1  0.913  0.817  0.047  1.0
  O  O35  1  0.784  0.727  0.560  1.0
  O  O36  1  0.210  0.850  0.163  1.0
  O  O37  1  0.671  0.805  0.306  1.0
  O  O38  1  0.968  0.820  0.308  1.0
  O  O39  1  0.537  0.505  0.243  1.0
  O  O40  1  0.037  0.495  0.257  1.0
  O  O41  1  0.353  0.534  0.155  1.0
  O  O42  1  0.790  0.150  0.837  1.0
  O  O43  1  0.171  0.195  0.194  1.0
  O  O44  1  0.647  0.466  0.845  1.0
  O  O45  1  0.216  0.273  0.440  1.0
[/CIF]
.
The material structure described by BaMo2P4O16 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form distorted MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-51°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. is represented by the CIF file [CIF]
data_BaMo2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.606
_cell_length_b   6.548
_cell_length_c   9.350
_cell_angle_alpha   56.528
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.753
_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  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.000  0.000  1.0
  Mo  Mo2  1  0.310  0.541  0.663  1.0
  Mo  Mo3  1  0.690  0.459  0.337  1.0
  Mo  Mo4  1  0.190  0.541  0.163  1.0
  Mo  Mo5  1  0.810  0.459  0.837  1.0
  P  P6  1  0.693  0.873  0.436  1.0
  P  P7  1  0.557  0.656  0.749  1.0
  P  P8  1  0.057  0.344  0.751  1.0
  P  P9  1  0.943  0.656  0.249  1.0
  P  P10  1  0.443  0.344  0.251  1.0
  P  P11  1  0.807  0.873  0.936  1.0
  P  P12  1  0.307  0.127  0.564  1.0
  P  P13  1  0.193  0.127  0.064  1.0
  O  O14  1  0.468  0.180  0.192  1.0
  O  O15  1  0.032  0.180  0.692  1.0
  O  O16  1  0.284  0.273  0.940  1.0
  O  O17  1  0.329  0.195  0.694  1.0
  O  O18  1  0.147  0.534  0.655  1.0
  O  O19  1  0.587  0.817  0.547  1.0
  O  O20  1  0.413  0.183  0.453  1.0
  O  O21  1  0.656  0.318  0.547  1.0
  O  O22  1  0.710  0.150  0.337  1.0
  O  O23  1  0.844  0.318  0.047  1.0
  O  O24  1  0.853  0.466  0.345  1.0
  O  O25  1  0.156  0.682  0.953  1.0
  O  O26  1  0.716  0.727  0.060  1.0
  O  O27  1  0.963  0.505  0.743  1.0
  O  O28  1  0.532  0.820  0.808  1.0
  O  O29  1  0.290  0.850  0.663  1.0
  O  O30  1  0.344  0.682  0.453  1.0
  O  O31  1  0.829  0.805  0.806  1.0
  O  O32  1  0.463  0.495  0.757  1.0
  O  O33  1  0.087  0.183  0.953  1.0
  O  O34  1  0.913  0.817  0.047  1.0
  O  O35  1  0.784  0.727  0.560  1.0
  O  O36  1  0.210  0.850  0.163  1.0
  O  O37  1  0.671  0.805  0.306  1.0
  O  O38  1  0.968  0.820  0.308  1.0
  O  O39  1  0.537  0.505  0.243  1.0
  O  O40  1  0.037  0.495  0.257  1.0
  O  O41  1  0.353  0.534  0.155  1.0
  O  O42  1  0.790  0.150  0.837  1.0
  O  O43  1  0.171  0.195  0.194  1.0
  O  O44  1  0.647  0.466  0.845  1.0
  O  O45  1  0.216  0.273  0.440  1.0
[/CIF]
.