The material structure described by NaMo3(PO7)2 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Mo(2)O5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(9), and two equivalent O(6) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(11), one O(4), one O(5), one O(8), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. In the second P site, P(2) is bonded to one O(10), one O(11), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and  a cornercorner with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are eleven inequivalent O sites. In the first O site, O(8) is bonded in a linear geometry to one Mo(3) and one P(1) atom. In the second O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(11) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(3), and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(3) atom. In the tenth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the eleventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Mo(3), and one P(2) atom. is represented by the CIF file [CIF]
data_NaMo3(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.485
_cell_length_b   8.689
_cell_length_c   10.736
_cell_angle_alpha   68.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.535
_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  0.250  0.010  0.755  1.0
  Na  Na1  1  0.750  0.990  0.245  1.0
  Mo  Mo2  1  0.250  0.749  0.170  1.0
  Mo  Mo3  1  0.750  0.251  0.830  1.0
  Mo  Mo4  1  0.250  0.334  0.123  1.0
  Mo  Mo5  1  0.750  0.666  0.877  1.0
  Mo  Mo6  1  0.250  0.736  0.493  1.0
  Mo  Mo7  1  0.750  0.264  0.507  1.0
  P  P8  1  0.250  0.384  0.801  1.0
  P  P9  1  0.750  0.616  0.199  1.0
  P  P10  1  0.250  0.351  0.437  1.0
  P  P11  1  0.750  0.649  0.563  1.0
  O  O12  1  0.250  0.568  0.113  1.0
  O  O13  1  0.750  0.432  0.887  1.0
  O  O14  1  0.250  0.917  0.023  1.0
  O  O15  1  0.750  0.083  0.977  1.0
  O  O16  1  0.938  0.729  0.190  1.0
  O  O17  1  0.062  0.271  0.810  1.0
  O  O18  1  0.438  0.271  0.810  1.0
  O  O19  1  0.562  0.729  0.190  1.0
  O  O20  1  0.250  0.855  0.295  1.0
  O  O21  1  0.750  0.145  0.705  1.0
  O  O22  1  0.250  0.891  0.555  1.0
  O  O23  1  0.750  0.109  0.445  1.0
  O  O24  1  0.468  0.216  0.133  1.0
  O  O25  1  0.532  0.784  0.867  1.0
  O  O26  1  0.968  0.784  0.867  1.0
  O  O27  1  0.032  0.216  0.133  1.0
  O  O28  1  0.938  0.721  0.472  1.0
  O  O29  1  0.062  0.279  0.528  1.0
  O  O30  1  0.438  0.279  0.528  1.0
  O  O31  1  0.562  0.721  0.472  1.0
  O  O32  1  0.250  0.534  0.670  1.0
  O  O33  1  0.750  0.466  0.330  1.0
  O  O34  1  0.250  0.446  0.919  1.0
  O  O35  1  0.750  0.554  0.081  1.0
  O  O36  1  0.250  0.289  0.320  1.0
  O  O37  1  0.750  0.711  0.680  1.0
  O  O38  1  0.250  0.542  0.385  1.0
  O  O39  1  0.750  0.458  0.615  1.0
[/CIF]
.
The material structure described by NaMo3(PO7)2 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(2), one O(4), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Mo(2)O5 trigonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(9), and two equivalent O(6) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(11), one O(4), one O(5), one O(8), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 35°. In the second P site, P(2) is bonded to one O(10), one O(11), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra and  a cornercorner with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are eleven inequivalent O sites. In the first O site, O(8) is bonded in a linear geometry to one Mo(3) and one P(1) atom. In the second O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(11) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(3), and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(3) atom. In the ninth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(3) atom. In the tenth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the eleventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Mo(3), and one P(2) atom. is represented by the CIF file [CIF]
data_NaMo3(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.485
_cell_length_b   8.689
_cell_length_c   10.736
_cell_angle_alpha   68.410
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.535
_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  0.250  0.010  0.755  1.0
  Na  Na1  1  0.750  0.990  0.245  1.0
  Mo  Mo2  1  0.250  0.749  0.170  1.0
  Mo  Mo3  1  0.750  0.251  0.830  1.0
  Mo  Mo4  1  0.250  0.334  0.123  1.0
  Mo  Mo5  1  0.750  0.666  0.877  1.0
  Mo  Mo6  1  0.250  0.736  0.493  1.0
  Mo  Mo7  1  0.750  0.264  0.507  1.0
  P  P8  1  0.250  0.384  0.801  1.0
  P  P9  1  0.750  0.616  0.199  1.0
  P  P10  1  0.250  0.351  0.437  1.0
  P  P11  1  0.750  0.649  0.563  1.0
  O  O12  1  0.250  0.568  0.113  1.0
  O  O13  1  0.750  0.432  0.887  1.0
  O  O14  1  0.250  0.917  0.023  1.0
  O  O15  1  0.750  0.083  0.977  1.0
  O  O16  1  0.938  0.729  0.190  1.0
  O  O17  1  0.062  0.271  0.810  1.0
  O  O18  1  0.438  0.271  0.810  1.0
  O  O19  1  0.562  0.729  0.190  1.0
  O  O20  1  0.250  0.855  0.295  1.0
  O  O21  1  0.750  0.145  0.705  1.0
  O  O22  1  0.250  0.891  0.555  1.0
  O  O23  1  0.750  0.109  0.445  1.0
  O  O24  1  0.468  0.216  0.133  1.0
  O  O25  1  0.532  0.784  0.867  1.0
  O  O26  1  0.968  0.784  0.867  1.0
  O  O27  1  0.032  0.216  0.133  1.0
  O  O28  1  0.938  0.721  0.472  1.0
  O  O29  1  0.062  0.279  0.528  1.0
  O  O30  1  0.438  0.279  0.528  1.0
  O  O31  1  0.562  0.721  0.472  1.0
  O  O32  1  0.250  0.534  0.670  1.0
  O  O33  1  0.750  0.466  0.330  1.0
  O  O34  1  0.250  0.446  0.919  1.0
  O  O35  1  0.750  0.554  0.081  1.0
  O  O36  1  0.250  0.289  0.320  1.0
  O  O37  1  0.750  0.711  0.680  1.0
  O  O38  1  0.250  0.542  0.385  1.0
  O  O39  1  0.750  0.458  0.615  1.0
[/CIF]
.