The structure described by NaMo(PO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)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(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-34°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(1) atom. In the third 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 fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) 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 linear geometry to one Mo(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NaMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   10.831
_cell_length_c   11.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   677.667
_cell_formula_units_Z   4
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  0.710  0.302  0.621  1.0
  Na  Na1  1  0.290  0.802  0.879  1.0
  Na  Na2  1  0.790  0.698  0.121  1.0
  Na  Na3  1  0.210  0.198  0.379  1.0
  Mo  Mo4  1  0.240  0.411  0.139  1.0
  Mo  Mo5  1  0.740  0.089  0.861  1.0
  Mo  Mo6  1  0.760  0.911  0.361  1.0
  Mo  Mo7  1  0.260  0.589  0.639  1.0
  P  P8  1  0.759  0.635  0.820  1.0
  P  P9  1  0.241  0.135  0.680  1.0
  P  P10  1  0.741  0.365  0.320  1.0
  P  P11  1  0.258  0.909  0.545  1.0
  P  P12  1  0.242  0.091  0.045  1.0
  P  P13  1  0.259  0.865  0.180  1.0
  P  P14  1  0.758  0.591  0.455  1.0
  P  P15  1  0.742  0.409  0.955  1.0
  O  O16  1  0.997  0.053  0.986  1.0
  O  O17  1  0.535  0.663  0.740  1.0
  O  O18  1  0.013  0.662  0.760  1.0
  O  O19  1  0.497  0.447  0.014  1.0
  O  O20  1  0.530  0.545  0.522  1.0
  O  O21  1  0.987  0.162  0.740  1.0
  O  O22  1  0.965  0.337  0.240  1.0
  O  O23  1  0.770  0.300  0.430  1.0
  O  O24  1  0.035  0.837  0.260  1.0
  O  O25  1  0.751  0.054  0.300  1.0
  O  O26  1  0.253  0.226  0.077  1.0
  O  O27  1  0.030  0.955  0.478  1.0
  O  O28  1  0.230  0.800  0.070  1.0
  O  O29  1  0.252  0.016  0.164  1.0
  O  O30  1  0.752  0.484  0.836  1.0
  O  O31  1  0.513  0.838  0.240  1.0
  O  O32  1  0.270  0.200  0.570  1.0
  O  O33  1  0.248  0.984  0.664  1.0
  O  O34  1  0.749  0.946  0.800  1.0
  O  O35  1  0.487  0.338  0.260  1.0
  O  O36  1  0.730  0.700  0.930  1.0
  O  O37  1  0.503  0.947  0.486  1.0
  O  O38  1  0.247  0.774  0.577  1.0
  O  O39  1  0.748  0.516  0.336  1.0
  O  O40  1  0.003  0.553  0.514  1.0
  O  O41  1  0.753  0.274  0.923  1.0
  O  O42  1  0.251  0.446  0.700  1.0
  O  O43  1  0.470  0.045  0.978  1.0
  O  O44  1  0.465  0.163  0.760  1.0
  O  O45  1  0.970  0.455  0.022  1.0
  O  O46  1  0.747  0.726  0.423  1.0
  O  O47  1  0.249  0.554  0.200  1.0
[/CIF]
.
The structure described by NaMo(PO4)2 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(5) atoms. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)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(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-34°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(1) atom. In the third 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 fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one P(1) 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 linear geometry to one Mo(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NaMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.312
_cell_length_b   10.831
_cell_length_c   11.778
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   677.667
_cell_formula_units_Z   4
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  0.710  0.302  0.621  1.0
  Na  Na1  1  0.290  0.802  0.879  1.0
  Na  Na2  1  0.790  0.698  0.121  1.0
  Na  Na3  1  0.210  0.198  0.379  1.0
  Mo  Mo4  1  0.240  0.411  0.139  1.0
  Mo  Mo5  1  0.740  0.089  0.861  1.0
  Mo  Mo6  1  0.760  0.911  0.361  1.0
  Mo  Mo7  1  0.260  0.589  0.639  1.0
  P  P8  1  0.759  0.635  0.820  1.0
  P  P9  1  0.241  0.135  0.680  1.0
  P  P10  1  0.741  0.365  0.320  1.0
  P  P11  1  0.258  0.909  0.545  1.0
  P  P12  1  0.242  0.091  0.045  1.0
  P  P13  1  0.259  0.865  0.180  1.0
  P  P14  1  0.758  0.591  0.455  1.0
  P  P15  1  0.742  0.409  0.955  1.0
  O  O16  1  0.997  0.053  0.986  1.0
  O  O17  1  0.535  0.663  0.740  1.0
  O  O18  1  0.013  0.662  0.760  1.0
  O  O19  1  0.497  0.447  0.014  1.0
  O  O20  1  0.530  0.545  0.522  1.0
  O  O21  1  0.987  0.162  0.740  1.0
  O  O22  1  0.965  0.337  0.240  1.0
  O  O23  1  0.770  0.300  0.430  1.0
  O  O24  1  0.035  0.837  0.260  1.0
  O  O25  1  0.751  0.054  0.300  1.0
  O  O26  1  0.253  0.226  0.077  1.0
  O  O27  1  0.030  0.955  0.478  1.0
  O  O28  1  0.230  0.800  0.070  1.0
  O  O29  1  0.252  0.016  0.164  1.0
  O  O30  1  0.752  0.484  0.836  1.0
  O  O31  1  0.513  0.838  0.240  1.0
  O  O32  1  0.270  0.200  0.570  1.0
  O  O33  1  0.248  0.984  0.664  1.0
  O  O34  1  0.749  0.946  0.800  1.0
  O  O35  1  0.487  0.338  0.260  1.0
  O  O36  1  0.730  0.700  0.930  1.0
  O  O37  1  0.503  0.947  0.486  1.0
  O  O38  1  0.247  0.774  0.577  1.0
  O  O39  1  0.748  0.516  0.336  1.0
  O  O40  1  0.003  0.553  0.514  1.0
  O  O41  1  0.753  0.274  0.923  1.0
  O  O42  1  0.251  0.446  0.700  1.0
  O  O43  1  0.470  0.045  0.978  1.0
  O  O44  1  0.465  0.163  0.760  1.0
  O  O45  1  0.970  0.455  0.022  1.0
  O  O46  1  0.747  0.726  0.423  1.0
  O  O47  1  0.249  0.554  0.200  1.0
[/CIF]
.