The crystal structure described by NaMo6O17 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), and two equivalent O(6) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second Mo site, Mo(2) is bonded to one O(12), one O(2), two equivalent O(11), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mo(6)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third Mo site, Mo(3) is bonded to one O(2), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(4), and two equivalent O(5) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the fifth Mo site, Mo(5) is bonded to one O(3), one O(7), two equivalent O(5), and two equivalent O(9) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(6)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with two equivalent Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Mo site, Mo(6) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Mo(5), and one Mo(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Na(1) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Mo(4), and one Mo(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one Mo(6) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(3) and one Mo(5) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mo(3) and one Mo(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mo(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. is represented by the CIF file [CIF]
data_NaMo6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   9.537
_cell_length_c   13.126
_cell_angle_alpha   89.282
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.322
_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  0.926  0.100  1.0
  Na  Na1  1  0.750  0.074  0.900  1.0
  Mo  Mo2  1  0.250  0.305  0.996  1.0
  Mo  Mo3  1  0.750  0.695  0.004  1.0
  Mo  Mo4  1  0.250  0.576  0.662  1.0
  Mo  Mo5  1  0.750  0.424  0.338  1.0
  Mo  Mo6  1  0.250  0.265  0.492  1.0
  Mo  Mo7  1  0.750  0.735  0.508  1.0
  Mo  Mo8  1  0.250  0.920  0.800  1.0
  Mo  Mo9  1  0.750  0.080  0.200  1.0
  Mo  Mo10  1  0.250  0.915  0.360  1.0
  Mo  Mo11  1  0.750  0.085  0.640  1.0
  Mo  Mo12  1  0.250  0.598  0.184  1.0
  Mo  Mo13  1  0.750  0.402  0.816  1.0
  O  O14  1  0.250  0.470  0.058  1.0
  O  O15  1  0.750  0.530  0.942  1.0
  O  O16  1  0.250  0.417  0.582  1.0
  O  O17  1  0.750  0.583  0.418  1.0
  O  O18  1  0.250  0.751  0.259  1.0
  O  O19  1  0.750  0.249  0.741  1.0
  O  O20  1  0.250  0.942  0.930  1.0
  O  O21  1  0.750  0.058  0.070  1.0
  O  O22  1  0.492  0.991  0.249  1.0
  O  O23  1  0.508  0.009  0.751  1.0
  O  O24  1  0.992  0.009  0.751  1.0
  O  O25  1  0.008  0.991  0.249  1.0
  O  O26  1  0.490  0.713  0.084  1.0
  O  O27  1  0.510  0.287  0.916  1.0
  O  O28  1  0.990  0.287  0.916  1.0
  O  O29  1  0.010  0.713  0.084  1.0
  O  O30  1  0.250  0.085  0.414  1.0
  O  O31  1  0.750  0.915  0.586  1.0
  O  O32  1  0.500  0.343  0.412  1.0
  O  O33  1  0.500  0.657  0.588  1.0
  O  O34  1  0.000  0.657  0.588  1.0
  O  O35  1  1.000  0.343  0.412  1.0
  O  O36  1  0.495  0.833  0.426  1.0
  O  O37  1  0.505  0.167  0.574  1.0
  O  O38  1  0.995  0.167  0.574  1.0
  O  O39  1  0.005  0.833  0.426  1.0
  O  O40  1  0.250  0.174  0.086  1.0
  O  O41  1  0.750  0.826  0.914  1.0
  O  O42  1  0.496  0.509  0.243  1.0
  O  O43  1  0.504  0.491  0.757  1.0
  O  O44  1  0.996  0.491  0.757  1.0
  O  O45  1  0.004  0.509  0.243  1.0
  O  O46  1  0.250  0.742  0.762  1.0
  O  O47  1  0.750  0.258  0.238  1.0
[/CIF]
.
The crystal structure described by NaMo6O17 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), and two equivalent O(6) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second Mo site, Mo(2) is bonded to one O(12), one O(2), two equivalent O(11), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mo(6)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third Mo site, Mo(3) is bonded to one O(2), one O(7), two equivalent O(8), and two equivalent O(9) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(4), and two equivalent O(5) atoms to form corner-sharing MoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the fifth Mo site, Mo(5) is bonded to one O(3), one O(7), two equivalent O(5), and two equivalent O(9) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(6)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with two equivalent Mo(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth Mo site, Mo(6) is bonded to one O(1), one O(3), two equivalent O(11), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Mo(5), and one Mo(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Na(1) and one Mo(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Mo(4), and one Mo(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one Mo(6) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(3) and one Mo(5) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(2) and one Mo(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mo(3) and one Mo(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Mo(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(4) atom. is represented by the CIF file [CIF]
data_NaMo6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   9.537
_cell_length_c   13.126
_cell_angle_alpha   89.282
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   691.322
_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  0.926  0.100  1.0
  Na  Na1  1  0.750  0.074  0.900  1.0
  Mo  Mo2  1  0.250  0.305  0.996  1.0
  Mo  Mo3  1  0.750  0.695  0.004  1.0
  Mo  Mo4  1  0.250  0.576  0.662  1.0
  Mo  Mo5  1  0.750  0.424  0.338  1.0
  Mo  Mo6  1  0.250  0.265  0.492  1.0
  Mo  Mo7  1  0.750  0.735  0.508  1.0
  Mo  Mo8  1  0.250  0.920  0.800  1.0
  Mo  Mo9  1  0.750  0.080  0.200  1.0
  Mo  Mo10  1  0.250  0.915  0.360  1.0
  Mo  Mo11  1  0.750  0.085  0.640  1.0
  Mo  Mo12  1  0.250  0.598  0.184  1.0
  Mo  Mo13  1  0.750  0.402  0.816  1.0
  O  O14  1  0.250  0.470  0.058  1.0
  O  O15  1  0.750  0.530  0.942  1.0
  O  O16  1  0.250  0.417  0.582  1.0
  O  O17  1  0.750  0.583  0.418  1.0
  O  O18  1  0.250  0.751  0.259  1.0
  O  O19  1  0.750  0.249  0.741  1.0
  O  O20  1  0.250  0.942  0.930  1.0
  O  O21  1  0.750  0.058  0.070  1.0
  O  O22  1  0.492  0.991  0.249  1.0
  O  O23  1  0.508  0.009  0.751  1.0
  O  O24  1  0.992  0.009  0.751  1.0
  O  O25  1  0.008  0.991  0.249  1.0
  O  O26  1  0.490  0.713  0.084  1.0
  O  O27  1  0.510  0.287  0.916  1.0
  O  O28  1  0.990  0.287  0.916  1.0
  O  O29  1  0.010  0.713  0.084  1.0
  O  O30  1  0.250  0.085  0.414  1.0
  O  O31  1  0.750  0.915  0.586  1.0
  O  O32  1  0.500  0.343  0.412  1.0
  O  O33  1  0.500  0.657  0.588  1.0
  O  O34  1  0.000  0.657  0.588  1.0
  O  O35  1  1.000  0.343  0.412  1.0
  O  O36  1  0.495  0.833  0.426  1.0
  O  O37  1  0.505  0.167  0.574  1.0
  O  O38  1  0.995  0.167  0.574  1.0
  O  O39  1  0.005  0.833  0.426  1.0
  O  O40  1  0.250  0.174  0.086  1.0
  O  O41  1  0.750  0.826  0.914  1.0
  O  O42  1  0.496  0.509  0.243  1.0
  O  O43  1  0.504  0.491  0.757  1.0
  O  O44  1  0.996  0.491  0.757  1.0
  O  O45  1  0.004  0.509  0.243  1.0
  O  O46  1  0.250  0.742  0.762  1.0
  O  O47  1  0.750  0.258  0.238  1.0
[/CIF]
.