data_Na2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VMo
_chemical_formula_sum   'Na2 V1 Mo1'
_cell_volume   89.21
_cell_formula_units_Z   1
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  Na1  1  0.0  0.0  0.32  1.0
  Na  Na2  1  0.6  0.6  0.55  1.0
  V  V3  1  0.0  0.0  0.93  1.0
  Mo  Mo0  1  0.6  0.6  0.96  1.0

data_Na2VMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2VMo
_chemical_formula_sum   'Na4 V2 Mo2'
_cell_volume   178.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.32  1.0
  Na  Na1  2  0.1  0.5  0.55  1.0
  V  V2  2  0.0  0.0  0.93  1.0
  Mo  Mo3  2  0.1  0.5  0.96  1.0

Na Na V Mo
Na Na V Mo 0 3 - - - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 2 o o - 1 1 + o o 1 1 o + o 1 3 o o o 2 3 - - o 
Na2VMo crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent Na(1), four equivalent Na(2), one V(1), and three equivalent Mo(1) atoms to form a mixture of distorted corner and face-sharing NaNa8VMo3 cuboctahedra. All Na(1)-Na(1) bond lengths are 3.20 Å. There are a spread of Na(1)-Na(2) bond distances ranging from 2.70-3.37 Å. The Na(1)-V(1) bond length is 3.42 Å. There is one shorter (3.61 Å) and two longer (3.88 Å) Na(1)-Mo(1) bond lengths. In the second Na site, Na(2) is bonded in a 10-coordinate geometry to four equivalent Na(1), four equivalent Na(2), one V(1), and one Mo(1) atom. All Na(2)-Na(2) bond lengths are 3.20 Å. The Na(2)-V(1) bond length is 3.76 Å. The Na(2)-Mo(1) bond length is 3.59 Å. V(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and three equivalent Mo(1) atoms. There is one shorter (1.83 Å) and two longer (2.33 Å) V(1)-Mo(1) bond lengths. Mo(1) is bonded in a 3-coordinate geometry to one Na(2), three equivalent Na(1), and three equivalent V(1) atoms.