The compound described by NaMo2P3O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, 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 17-51°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-51°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(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 Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.465
_cell_length_b   7.587
_cell_length_c   11.358
_cell_angle_alpha   75.448
_cell_angle_beta   85.343
_cell_angle_gamma   79.385
_symmetry_Int_Tables_number   1
_cell_volume   529.652
_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
  Na  Na0  1  0.321  0.586  0.771  1.0
  Na  Na1  1  0.679  0.414  0.229  1.0
  Mo  Mo2  1  0.783  0.795  0.910  1.0
  Mo  Mo3  1  0.239  0.196  0.596  1.0
  Mo  Mo4  1  0.217  0.205  0.090  1.0
  Mo  Mo5  1  0.761  0.804  0.404  1.0
  P  P6  1  0.879  0.531  0.688  1.0
  P  P7  1  0.263  0.933  0.889  1.0
  P  P8  1  0.738  0.204  0.665  1.0
  P  P9  1  0.262  0.796  0.335  1.0
  P  P10  1  0.121  0.469  0.312  1.0
  P  P11  1  0.737  0.067  0.111  1.0
  O  O12  1  0.894  0.541  0.346  1.0
  O  O13  1  0.078  0.785  0.430  1.0
  O  O14  1  0.247  0.642  0.259  1.0
  O  O15  1  0.527  0.196  0.132  1.0
  O  O16  1  0.268  0.987  0.010  1.0
  O  O17  1  0.097  0.806  0.894  1.0
  O  O18  1  0.474  0.729  0.397  1.0
  O  O19  1  0.310  0.974  0.582  1.0
  O  O20  1  0.221  0.108  0.785  1.0
  O  O21  1  0.748  0.655  0.582  1.0
  O  O22  1  0.903  0.194  0.106  1.0
  O  O23  1  0.473  0.804  0.868  1.0
  O  O24  1  0.252  0.345  0.418  1.0
  O  O25  1  0.131  0.380  0.205  1.0
  O  O26  1  0.245  0.983  0.248  1.0
  O  O27  1  0.922  0.215  0.570  1.0
  O  O28  1  0.764  0.631  0.044  1.0
  O  O29  1  0.753  0.358  0.741  1.0
  O  O30  1  0.779  0.892  0.215  1.0
  O  O31  1  0.755  0.017  0.752  1.0
  O  O32  1  0.236  0.369  0.956  1.0
  O  O33  1  0.106  0.459  0.654  1.0
  O  O34  1  0.526  0.271  0.603  1.0
  O  O35  1  0.869  0.620  0.795  1.0
  O  O36  1  0.690  0.026  0.418  1.0
  O  O37  1  0.732  0.013  0.990  1.0
[/CIF]
.
The compound described by NaMo2P3O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, 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 17-51°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-51°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(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 Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Na(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMo2P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.465
_cell_length_b   7.587
_cell_length_c   11.358
_cell_angle_alpha   75.448
_cell_angle_beta   85.343
_cell_angle_gamma   79.385
_symmetry_Int_Tables_number   1
_cell_volume   529.652
_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
  Na  Na0  1  0.321  0.586  0.771  1.0
  Na  Na1  1  0.679  0.414  0.229  1.0
  Mo  Mo2  1  0.783  0.795  0.910  1.0
  Mo  Mo3  1  0.239  0.196  0.596  1.0
  Mo  Mo4  1  0.217  0.205  0.090  1.0
  Mo  Mo5  1  0.761  0.804  0.404  1.0
  P  P6  1  0.879  0.531  0.688  1.0
  P  P7  1  0.263  0.933  0.889  1.0
  P  P8  1  0.738  0.204  0.665  1.0
  P  P9  1  0.262  0.796  0.335  1.0
  P  P10  1  0.121  0.469  0.312  1.0
  P  P11  1  0.737  0.067  0.111  1.0
  O  O12  1  0.894  0.541  0.346  1.0
  O  O13  1  0.078  0.785  0.430  1.0
  O  O14  1  0.247  0.642  0.259  1.0
  O  O15  1  0.527  0.196  0.132  1.0
  O  O16  1  0.268  0.987  0.010  1.0
  O  O17  1  0.097  0.806  0.894  1.0
  O  O18  1  0.474  0.729  0.397  1.0
  O  O19  1  0.310  0.974  0.582  1.0
  O  O20  1  0.221  0.108  0.785  1.0
  O  O21  1  0.748  0.655  0.582  1.0
  O  O22  1  0.903  0.194  0.106  1.0
  O  O23  1  0.473  0.804  0.868  1.0
  O  O24  1  0.252  0.345  0.418  1.0
  O  O25  1  0.131  0.380  0.205  1.0
  O  O26  1  0.245  0.983  0.248  1.0
  O  O27  1  0.922  0.215  0.570  1.0
  O  O28  1  0.764  0.631  0.044  1.0
  O  O29  1  0.753  0.358  0.741  1.0
  O  O30  1  0.779  0.892  0.215  1.0
  O  O31  1  0.755  0.017  0.752  1.0
  O  O32  1  0.236  0.369  0.956  1.0
  O  O33  1  0.106  0.459  0.654  1.0
  O  O34  1  0.526  0.271  0.603  1.0
  O  O35  1  0.869  0.620  0.795  1.0
  O  O36  1  0.690  0.026  0.418  1.0
  O  O37  1  0.732  0.013  0.990  1.0
[/CIF]
.