The compound described by BaMo2P3O14 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(13), one O(4), one O(8), one O(9), two equivalent O(12), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(14), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-43°. In the second P site, P(2) is bonded to one O(13), one O(14), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-41°. 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 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 41-46°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mo(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(1) and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo2P3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   8.655
_cell_angle_alpha   82.455
_cell_angle_beta   82.455
_cell_angle_gamma   72.919
_symmetry_Int_Tables_number   1
_cell_volume   541.909
_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  0.955  0.047  0.501  1.0
  Ba  Ba1  1  0.047  0.955  0.001  1.0
  Mo  Mo2  1  0.506  0.805  0.672  1.0
  Mo  Mo3  1  0.805  0.506  0.172  1.0
  Mo  Mo4  1  0.516  0.181  0.846  1.0
  Mo  Mo5  1  0.181  0.516  0.346  1.0
  P  P6  1  0.112  0.321  0.698  1.0
  P  P7  1  0.321  0.112  0.198  1.0
  P  P8  1  0.562  0.424  0.505  1.0
  P  P9  1  0.661  0.896  0.308  1.0
  P  P10  1  0.424  0.562  0.005  1.0
  P  P11  1  0.896  0.661  0.808  1.0
  O  O12  1  0.923  0.313  0.114  1.0
  O  O13  1  0.249  0.298  0.227  1.0
  O  O14  1  0.408  0.414  0.922  1.0
  O  O15  1  0.369  0.092  0.021  1.0
  O  O16  1  0.954  0.818  0.749  1.0
  O  O17  1  0.055  0.496  0.778  1.0
  O  O18  1  0.745  0.636  0.742  1.0
  O  O19  1  0.092  0.369  0.521  1.0
  O  O20  1  0.869  0.656  0.989  1.0
  O  O21  1  0.722  0.402  0.385  1.0
  O  O22  1  0.496  0.055  0.278  1.0
  O  O23  1  0.818  0.954  0.249  1.0
  O  O24  1  0.141  0.696  0.437  1.0
  O  O25  1  0.696  0.141  0.937  1.0
  O  O26  1  0.656  0.869  0.489  1.0
  O  O27  1  0.561  0.968  0.769  1.0
  O  O28  1  0.968  0.561  0.269  1.0
  O  O29  1  0.313  0.923  0.614  1.0
  O  O30  1  0.203  0.003  0.260  1.0
  O  O31  1  0.636  0.745  0.242  1.0
  O  O32  1  0.276  0.617  0.134  1.0
  O  O33  1  0.617  0.276  0.634  1.0
  O  O34  1  0.508  0.596  0.574  1.0
  O  O35  1  0.596  0.508  0.074  1.0
  O  O36  1  0.003  0.203  0.760  1.0
  O  O37  1  0.414  0.408  0.422  1.0
  O  O38  1  0.298  0.249  0.727  1.0
  O  O39  1  0.402  0.722  0.885  1.0
[/CIF]
.
The compound described by BaMo2P3O14 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(13), one O(4), one O(8), one O(9), two equivalent O(12), and two equivalent O(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(14), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. In the second Mo site, Mo(2) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-43°. In the second P site, P(2) is bonded to one O(13), one O(14), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-41°. 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 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 41-46°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mo(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(1) and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(1), one Mo(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Mo(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMo2P3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   8.655
_cell_angle_alpha   82.455
_cell_angle_beta   82.455
_cell_angle_gamma   72.919
_symmetry_Int_Tables_number   1
_cell_volume   541.909
_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  0.955  0.047  0.501  1.0
  Ba  Ba1  1  0.047  0.955  0.001  1.0
  Mo  Mo2  1  0.506  0.805  0.672  1.0
  Mo  Mo3  1  0.805  0.506  0.172  1.0
  Mo  Mo4  1  0.516  0.181  0.846  1.0
  Mo  Mo5  1  0.181  0.516  0.346  1.0
  P  P6  1  0.112  0.321  0.698  1.0
  P  P7  1  0.321  0.112  0.198  1.0
  P  P8  1  0.562  0.424  0.505  1.0
  P  P9  1  0.661  0.896  0.308  1.0
  P  P10  1  0.424  0.562  0.005  1.0
  P  P11  1  0.896  0.661  0.808  1.0
  O  O12  1  0.923  0.313  0.114  1.0
  O  O13  1  0.249  0.298  0.227  1.0
  O  O14  1  0.408  0.414  0.922  1.0
  O  O15  1  0.369  0.092  0.021  1.0
  O  O16  1  0.954  0.818  0.749  1.0
  O  O17  1  0.055  0.496  0.778  1.0
  O  O18  1  0.745  0.636  0.742  1.0
  O  O19  1  0.092  0.369  0.521  1.0
  O  O20  1  0.869  0.656  0.989  1.0
  O  O21  1  0.722  0.402  0.385  1.0
  O  O22  1  0.496  0.055  0.278  1.0
  O  O23  1  0.818  0.954  0.249  1.0
  O  O24  1  0.141  0.696  0.437  1.0
  O  O25  1  0.696  0.141  0.937  1.0
  O  O26  1  0.656  0.869  0.489  1.0
  O  O27  1  0.561  0.968  0.769  1.0
  O  O28  1  0.968  0.561  0.269  1.0
  O  O29  1  0.313  0.923  0.614  1.0
  O  O30  1  0.203  0.003  0.260  1.0
  O  O31  1  0.636  0.745  0.242  1.0
  O  O32  1  0.276  0.617  0.134  1.0
  O  O33  1  0.617  0.276  0.634  1.0
  O  O34  1  0.508  0.596  0.574  1.0
  O  O35  1  0.596  0.508  0.074  1.0
  O  O36  1  0.003  0.203  0.760  1.0
  O  O37  1  0.414  0.408  0.422  1.0
  O  O38  1  0.298  0.249  0.727  1.0
  O  O39  1  0.402  0.722  0.885  1.0
[/CIF]
.