The crystal structure described by LiVMoO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form edge-sharing LiO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one V(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_LiVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.718
_cell_length_b   5.085
_cell_length_c   6.782
_cell_angle_alpha   110.696
_cell_angle_beta   90.000
_cell_angle_gamma   68.554
_symmetry_Int_Tables_number   1
_cell_volume   110.397
_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
  Li  Li0  1  0.009  0.983  0.982  1.0
  V  V1  1  0.811  0.379  0.656  1.0
  Mo  Mo2  1  0.183  0.634  0.359  1.0
  O  O3  1  0.690  0.621  0.441  1.0
  O  O4  1  0.304  0.393  0.571  1.0
  O  O5  1  0.976  0.048  0.702  1.0
  O  O6  1  0.024  0.952  0.283  1.0
  O  O7  1  0.667  0.667  0.890  1.0
  O  O8  1  0.338  0.325  0.116  1.0
[/CIF]
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The crystal structure described by LiVMoO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form edge-sharing LiO6 octahedra. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one V(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_LiVMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.718
_cell_length_b   5.085
_cell_length_c   6.782
_cell_angle_alpha   110.696
_cell_angle_beta   90.000
_cell_angle_gamma   68.554
_symmetry_Int_Tables_number   1
_cell_volume   110.397
_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
  Li  Li0  1  0.009  0.983  0.982  1.0
  V  V1  1  0.811  0.379  0.656  1.0
  Mo  Mo2  1  0.183  0.634  0.359  1.0
  O  O3  1  0.690  0.621  0.441  1.0
  O  O4  1  0.304  0.393  0.571  1.0
  O  O5  1  0.976  0.048  0.702  1.0
  O  O6  1  0.024  0.952  0.283  1.0
  O  O7  1  0.667  0.667  0.890  1.0
  O  O8  1  0.338  0.325  0.116  1.0
[/CIF]
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