The material structure described by K2LiVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(3) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent V(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(2), two equivalent Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one V(1) atom. is represented by the CIF card [CIF]
data_K2LiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.785
_cell_length_c   7.631
_cell_angle_alpha   89.714
_cell_angle_beta   89.714
_cell_angle_gamma   85.719
_symmetry_Int_Tables_number   1
_cell_volume   254.688
_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
  K  K0  1  0.297  0.297  0.178  1.0
  K  K1  1  0.219  0.781  0.500  1.0
  K  K2  1  0.703  0.703  0.822  1.0
  K  K3  1  0.781  0.219  0.500  1.0
  Li  Li4  1  0.178  0.822  0.000  1.0
  Li  Li5  1  0.822  0.178  0.000  1.0
  V  V6  1  0.286  0.286  0.755  1.0
  V  V7  1  0.714  0.714  0.245  1.0
  O  O8  1  0.794  0.434  0.172  1.0
  O  O9  1  0.906  0.906  0.158  1.0
  O  O10  1  0.434  0.794  0.172  1.0
  O  O11  1  0.094  0.094  0.842  1.0
  O  O12  1  0.722  0.722  0.473  1.0
  O  O13  1  0.566  0.206  0.828  1.0
  O  O14  1  0.206  0.566  0.828  1.0
  O  O15  1  0.278  0.278  0.527  1.0
[/CIF]
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The material structure described by K2LiVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(3) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent V(1)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(2), two equivalent Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one K(1), four equivalent K(2), and one V(1) atom. is represented by the CIF card [CIF]
data_K2LiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   5.785
_cell_length_c   7.631
_cell_angle_alpha   89.714
_cell_angle_beta   89.714
_cell_angle_gamma   85.719
_symmetry_Int_Tables_number   1
_cell_volume   254.688
_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
  K  K0  1  0.297  0.297  0.178  1.0
  K  K1  1  0.219  0.781  0.500  1.0
  K  K2  1  0.703  0.703  0.822  1.0
  K  K3  1  0.781  0.219  0.500  1.0
  Li  Li4  1  0.178  0.822  0.000  1.0
  Li  Li5  1  0.822  0.178  0.000  1.0
  V  V6  1  0.286  0.286  0.755  1.0
  V  V7  1  0.714  0.714  0.245  1.0
  O  O8  1  0.794  0.434  0.172  1.0
  O  O9  1  0.906  0.906  0.158  1.0
  O  O10  1  0.434  0.794  0.172  1.0
  O  O11  1  0.094  0.094  0.842  1.0
  O  O12  1  0.722  0.722  0.473  1.0
  O  O13  1  0.566  0.206  0.828  1.0
  O  O14  1  0.206  0.566  0.828  1.0
  O  O15  1  0.278  0.278  0.527  1.0
[/CIF]
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