The structure described by NaVMoO6 crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing NaO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_NaVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.733
_cell_length_b   5.144
_cell_length_c   7.355
_cell_angle_alpha   110.636
_cell_angle_beta   90.096
_cell_angle_gamma   68.671
_symmetry_Int_Tables_number   1
_cell_volume   121.798
_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  Na0  1  0.991  0.012  0.015  1.0
  V  V1  1  0.192  0.627  0.359  1.0
  Mo  Mo2  1  0.825  0.360  0.628  1.0
  O  O3  1  0.675  0.657  0.856  1.0
  O  O4  1  0.325  0.356  0.139  1.0
  O  O5  1  0.313  0.383  0.555  1.0
  O  O6  1  0.703  0.604  0.434  1.0
  O  O7  1  0.983  0.043  0.695  1.0
  O  O8  1  0.024  0.957  0.320  1.0
[/CIF]
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The structure described by NaVMoO6 crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing NaO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_NaVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.733
_cell_length_b   5.144
_cell_length_c   7.355
_cell_angle_alpha   110.636
_cell_angle_beta   90.096
_cell_angle_gamma   68.671
_symmetry_Int_Tables_number   1
_cell_volume   121.798
_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  Na0  1  0.991  0.012  0.015  1.0
  V  V1  1  0.192  0.627  0.359  1.0
  Mo  Mo2  1  0.825  0.360  0.628  1.0
  O  O3  1  0.675  0.657  0.856  1.0
  O  O4  1  0.325  0.356  0.139  1.0
  O  O5  1  0.313  0.383  0.555  1.0
  O  O6  1  0.703  0.604  0.434  1.0
  O  O7  1  0.983  0.043  0.695  1.0
  O  O8  1  0.024  0.957  0.320  1.0
[/CIF]
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