The material described by Na4MoO5 crystallizes in the triclinic P-1 space group. There are nine inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Na(7)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with three equivalent Na(2)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-28°. In the second Na site, Na(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-30°. In the third Na site, Na(3) is bonded to one O(3), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with three equivalent Na(8)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-28°. In the fourth Na site, Na(4) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Mo(2)O5 trigonal bipyramids, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(8)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with four equivalent Na(6)O6 octahedra, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-20°. In the fifth Na site, Na(5) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, corners with four equivalent Mo(2)O5 trigonal bipyramids, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(8)O6 octahedra, and edges with four equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. In the sixth Na site, Na(6) is bonded to one O(3), one O(4), one O(7), one O(9), and two equivalent O(10) atoms to form NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(9)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-23°. In the seventh Na site, Na(7) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with two equivalent Na(5)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-28°. In the eighth Na site, Na(8) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Na(7)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-27°. In the ninth Na site, Na(9) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra, corners with two equivalent Mo(2)O5 trigonal bipyramids,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-22°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-73°. In the second Mo site, Mo(2) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(9)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(7), one Na(9), two equivalent Na(2), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with three equivalent O(7)Na5Mo octahedra, and edges with two equivalent O(5)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-22°. In the second O site, O(2) is bonded to one Na(1), one Na(5), one Na(8), two equivalent Na(7), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(4)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra, edges with two equivalent O(5)Na4Mo trigonal bipyramids, and edges with three equivalent O(8)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-25°. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Na(6), one Na(8), one Na(9), and one Mo(2) atom to form ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with two equivalent O(6)Na5Mo octahedra, edges with two equivalent O(9)Na5Mo octahedra, edges with three equivalent O(10)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(4), one Na(6), one Na(9), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid, corners with two equivalent O(5)Na4Mo trigonal bipyramids,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with two equivalent O(7)Na5Mo octahedra, and edges with three equivalent O(10)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(5), one Na(7), and one Mo(1) atom to form distorted ONa4Mo trigonal bipyramids that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(4)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid, corners with three equivalent O(8)Na4Mo trigonal bipyramids,  an edgeedge with one O(6)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, edges with two equivalent O(2)Na5Mo octahedra, and edges with two equivalent O(7)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 17-85°. In the sixth O site, O(6) is bonded to one Na(7), one Na(8), one Na(9), two equivalent Na(3), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(8)Na4Mo trigonal bipyramids,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with three equivalent O(9)Na5Mo octahedra,  an edgeedge with one O(5)Na4Mo trigonal bipyramid, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-22°. In the seventh O site, O(7) is bonded to one Na(1), one Na(6), one Na(9), two equivalent Na(2), and one Mo(1) atom to form ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with three equivalent O(1)Na5Mo octahedra, and edges with two equivalent O(5)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-17°. In the eighth O site, O(8) is bonded to one Na(3), one Na(5), one Na(7), one Na(8), and one Mo(2) atom to form distorted ONa4Mo trigonal bipyramids that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(6)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid, corners with three equivalent O(5)Na4Mo trigonal bipyramids,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, and edges with three equivalent O(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 16-86°. In the ninth O site, O(9) is bonded to one Na(6), one Na(8), one Na(9), two equivalent Na(3), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(4)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with three equivalent O(6)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-16°. In the tenth O site, O(10) is bonded to one Na(1), one Na(4), one Na(8), two equivalent Na(6), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with three equivalent O(3)Na5Mo octahedra, edges with three equivalent O(4)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   9.873
_cell_length_c   9.893
_cell_angle_alpha   113.259
_cell_angle_beta   96.415
_cell_angle_gamma   96.241
_symmetry_Int_Tables_number   1
_cell_volume   492.108
_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  0.736  0.644  0.843  1.0
  Na  Na1  1  0.782  0.452  0.066  1.0
  Na  Na2  1  0.218  0.548  0.934  1.0
  Na  Na3  1  0.760  0.055  0.463  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.500  0.500  0.500  1.0
  Na  Na6  1  0.508  0.104  0.911  1.0
  Na  Na7  1  0.492  0.896  0.089  1.0
  Na  Na8  1  0.002  0.399  0.599  1.0
  Na  Na9  1  0.998  0.601  0.401  1.0
  Na  Na10  1  0.282  0.152  0.359  1.0
  Na  Na11  1  0.718  0.848  0.641  1.0
  Na  Na12  1  0.984  0.194  0.806  1.0
  Na  Na13  1  0.016  0.806  0.194  1.0
  Na  Na14  1  0.264  0.356  0.157  1.0
  Na  Na15  1  0.240  0.945  0.537  1.0
  Mo  Mo16  1  0.521  0.700  0.263  1.0
  Mo  Mo17  1  0.479  0.300  0.737  1.0
  Mo  Mo18  1  0.215  0.784  0.752  1.0
  Mo  Mo19  1  0.785  0.216  0.248  1.0
  O  O20  1  0.808  0.398  0.809  1.0
  O  O21  1  0.937  0.644  0.650  1.0
  O  O22  1  0.063  0.356  0.350  1.0
  O  O23  1  0.192  0.602  0.191  1.0
  O  O24  1  0.884  0.041  0.227  1.0
  O  O25  1  0.116  0.959  0.773  1.0
  O  O26  1  0.863  0.229  0.069  1.0
  O  O27  1  0.137  0.771  0.931  1.0
  O  O28  1  0.404  0.468  0.713  1.0
  O  O29  1  0.596  0.532  0.287  1.0
  O  O30  1  0.195  0.190  0.597  1.0
  O  O31  1  0.805  0.810  0.403  1.0
  O  O32  1  0.377  0.322  0.910  1.0
  O  O33  1  0.623  0.678  0.090  1.0
  O  O34  1  0.665  0.271  0.427  1.0
  O  O35  1  0.335  0.729  0.573  1.0
  O  O36  1  0.600  0.116  0.682  1.0
  O  O37  1  0.544  0.849  0.851  1.0
  O  O38  1  0.456  0.151  0.149  1.0
  O  O39  1  0.400  0.884  0.318  1.0
[/CIF]
.
The material described by Na4MoO5 crystallizes in the triclinic P-1 space group. There are nine inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Na(7)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with three equivalent Na(2)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-28°. In the second Na site, Na(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-30°. In the third Na site, Na(3) is bonded to one O(3), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with three equivalent Na(8)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-28°. In the fourth Na site, Na(4) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Mo(2)O5 trigonal bipyramids, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(8)O6 octahedra, edges with two equivalent Na(9)O6 octahedra, edges with four equivalent Na(6)O6 octahedra, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-20°. In the fifth Na site, Na(5) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids, corners with four equivalent Mo(2)O5 trigonal bipyramids, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(8)O6 octahedra, and edges with four equivalent Na(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. In the sixth Na site, Na(6) is bonded to one O(3), one O(4), one O(7), one O(9), and two equivalent O(10) atoms to form NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, edges with two equivalent Na(4)O6 octahedra, edges with two equivalent Na(9)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-23°. In the seventh Na site, Na(7) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid,  a cornercorner with one Mo(2)O5 trigonal bipyramid,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with two equivalent Na(5)O6 octahedra,  an edgeedge with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 21-28°. In the eighth Na site, Na(8) is bonded to one O(10), one O(2), one O(3), one O(6), one O(8), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(9)O6 octahedra, corners with two equivalent Na(6)O6 octahedra, corners with two equivalent Na(7)O6 octahedra, corners with two equivalent Mo(1)O5 trigonal bipyramids,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(9)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with two equivalent Mo(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 8-27°. In the ninth Na site, Na(9) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra, corners with two equivalent Mo(2)O5 trigonal bipyramids,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra,  an edgeedge with one Na(8)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, and edges with two equivalent Mo(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-22°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Na(8)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-73°. In the second Mo site, Mo(2) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(8) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra, corners with two equivalent Na(5)O6 octahedra, corners with two equivalent Na(9)O6 octahedra,  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, edges with two equivalent Na(6)O6 octahedra, and edges with two equivalent Na(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(7), one Na(9), two equivalent Na(2), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with three equivalent O(7)Na5Mo octahedra, and edges with two equivalent O(5)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-22°. In the second O site, O(2) is bonded to one Na(1), one Na(5), one Na(8), two equivalent Na(7), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(4)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra, edges with two equivalent O(5)Na4Mo trigonal bipyramids, and edges with three equivalent O(8)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-25°. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Na(6), one Na(8), one Na(9), and one Mo(2) atom to form ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with two equivalent O(6)Na5Mo octahedra, edges with two equivalent O(9)Na5Mo octahedra, edges with three equivalent O(10)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-14°. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(4), one Na(6), one Na(9), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid, corners with two equivalent O(5)Na4Mo trigonal bipyramids,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with two equivalent O(7)Na5Mo octahedra, and edges with three equivalent O(10)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Na(5), one Na(7), and one Mo(1) atom to form distorted ONa4Mo trigonal bipyramids that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(4)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid, corners with three equivalent O(8)Na4Mo trigonal bipyramids,  an edgeedge with one O(6)Na5Mo octahedra, edges with two equivalent O(1)Na5Mo octahedra, edges with two equivalent O(2)Na5Mo octahedra, and edges with two equivalent O(7)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 17-85°. In the sixth O site, O(6) is bonded to one Na(7), one Na(8), one Na(9), two equivalent Na(3), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(8)Na4Mo trigonal bipyramids,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with three equivalent O(9)Na5Mo octahedra,  an edgeedge with one O(5)Na4Mo trigonal bipyramid, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-22°. In the seventh O site, O(7) is bonded to one Na(1), one Na(6), one Na(9), two equivalent Na(2), and one Mo(1) atom to form ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(4)Na5Mo octahedra, edges with three equivalent O(1)Na5Mo octahedra, and edges with two equivalent O(5)Na4Mo trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-17°. In the eighth O site, O(8) is bonded to one Na(3), one Na(5), one Na(7), one Na(8), and one Mo(2) atom to form distorted ONa4Mo trigonal bipyramids that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(4)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra, corners with two equivalent O(6)Na5Mo octahedra,  a cornercorner with one O(8)Na4Mo trigonal bipyramid, corners with three equivalent O(5)Na4Mo trigonal bipyramids,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(3)Na5Mo octahedra,  an edgeedge with one O(6)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, and edges with three equivalent O(2)Na5Mo octahedra. The corner-sharing octahedral tilt angles range from 16-86°. In the ninth O site, O(9) is bonded to one Na(6), one Na(8), one Na(9), two equivalent Na(3), and one Mo(1) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(3)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  a cornercorner with one O(8)Na4Mo trigonal bipyramid,  an edgeedge with one O(1)Na5Mo octahedra,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(4)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with two equivalent O(3)Na5Mo octahedra, edges with three equivalent O(6)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-16°. In the tenth O site, O(10) is bonded to one Na(1), one Na(4), one Na(8), two equivalent Na(6), and one Mo(2) atom to form distorted ONa5Mo octahedra that share  a cornercorner with one O(1)Na5Mo octahedra,  a cornercorner with one O(10)Na5Mo octahedra,  a cornercorner with one O(2)Na5Mo octahedra,  a cornercorner with one O(6)Na5Mo octahedra,  a cornercorner with one O(7)Na5Mo octahedra,  a cornercorner with one O(9)Na5Mo octahedra,  a cornercorner with one O(5)Na4Mo trigonal bipyramid,  an edgeedge with one O(10)Na5Mo octahedra,  an edgeedge with one O(2)Na5Mo octahedra,  an edgeedge with one O(7)Na5Mo octahedra,  an edgeedge with one O(9)Na5Mo octahedra, edges with three equivalent O(3)Na5Mo octahedra, edges with three equivalent O(4)Na5Mo octahedra, and  an edgeedge with one O(8)Na4Mo trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-25°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4MoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   9.873
_cell_length_c   9.893
_cell_angle_alpha   113.259
_cell_angle_beta   96.415
_cell_angle_gamma   96.241
_symmetry_Int_Tables_number   1
_cell_volume   492.108
_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  0.736  0.644  0.843  1.0
  Na  Na1  1  0.782  0.452  0.066  1.0
  Na  Na2  1  0.218  0.548  0.934  1.0
  Na  Na3  1  0.760  0.055  0.463  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.500  0.500  0.500  1.0
  Na  Na6  1  0.508  0.104  0.911  1.0
  Na  Na7  1  0.492  0.896  0.089  1.0
  Na  Na8  1  0.002  0.399  0.599  1.0
  Na  Na9  1  0.998  0.601  0.401  1.0
  Na  Na10  1  0.282  0.152  0.359  1.0
  Na  Na11  1  0.718  0.848  0.641  1.0
  Na  Na12  1  0.984  0.194  0.806  1.0
  Na  Na13  1  0.016  0.806  0.194  1.0
  Na  Na14  1  0.264  0.356  0.157  1.0
  Na  Na15  1  0.240  0.945  0.537  1.0
  Mo  Mo16  1  0.521  0.700  0.263  1.0
  Mo  Mo17  1  0.479  0.300  0.737  1.0
  Mo  Mo18  1  0.215  0.784  0.752  1.0
  Mo  Mo19  1  0.785  0.216  0.248  1.0
  O  O20  1  0.808  0.398  0.809  1.0
  O  O21  1  0.937  0.644  0.650  1.0
  O  O22  1  0.063  0.356  0.350  1.0
  O  O23  1  0.192  0.602  0.191  1.0
  O  O24  1  0.884  0.041  0.227  1.0
  O  O25  1  0.116  0.959  0.773  1.0
  O  O26  1  0.863  0.229  0.069  1.0
  O  O27  1  0.137  0.771  0.931  1.0
  O  O28  1  0.404  0.468  0.713  1.0
  O  O29  1  0.596  0.532  0.287  1.0
  O  O30  1  0.195  0.190  0.597  1.0
  O  O31  1  0.805  0.810  0.403  1.0
  O  O32  1  0.377  0.322  0.910  1.0
  O  O33  1  0.623  0.678  0.090  1.0
  O  O34  1  0.665  0.271  0.427  1.0
  O  O35  1  0.335  0.729  0.573  1.0
  O  O36  1  0.600  0.116  0.682  1.0
  O  O37  1  0.544  0.849  0.851  1.0
  O  O38  1  0.456  0.151  0.149  1.0
  O  O39  1  0.400  0.884  0.318  1.0
[/CIF]
.