The compound described by LiCuVO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted OLi2V2 trigonal pyramids that share corners with four equivalent O(2)LiVCu2 trigonal pyramids, corners with seven equivalent O(1)Li2V2 trigonal pyramids,  an edgeedge with one O(1)Li2V2 trigonal pyramid, edges with two equivalent O(2)LiVCu2 trigonal pyramids, and  a faceface with one O(1)Li2V2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), and two equivalent Cu(1) atoms to form OLiVCu2 trigonal pyramids that share corners with four equivalent O(1)Li2V2 trigonal pyramids, corners with six equivalent O(2)LiVCu2 trigonal pyramids,  an edgeedge with one O(2)LiVCu2 trigonal pyramid, and edges with two equivalent O(1)Li2V2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   5.752
_cell_length_c   6.076
_cell_angle_alpha   118.251
_cell_angle_beta   120.728
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.682
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.540  0.790  0.079  1.0
  V  V3  1  0.460  0.210  0.921  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.653  0.656  0.307  1.0
  O  O7  1  0.347  0.344  0.693  1.0
  O  O8  1  0.347  0.849  0.693  1.0
  O  O9  1  0.653  0.151  0.307  1.0
  O  O10  1  0.227  0.272  0.044  1.0
  O  O11  1  0.182  0.728  0.956  1.0
  O  O12  1  0.773  0.728  0.956  1.0
  O  O13  1  0.818  0.272  0.044  1.0
[/CIF]
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The compound described by LiCuVO4 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted OLi2V2 trigonal pyramids that share corners with four equivalent O(2)LiVCu2 trigonal pyramids, corners with seven equivalent O(1)Li2V2 trigonal pyramids,  an edgeedge with one O(1)Li2V2 trigonal pyramid, edges with two equivalent O(2)LiVCu2 trigonal pyramids, and  a faceface with one O(1)Li2V2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one V(1), and two equivalent Cu(1) atoms to form OLiVCu2 trigonal pyramids that share corners with four equivalent O(1)Li2V2 trigonal pyramids, corners with six equivalent O(2)LiVCu2 trigonal pyramids,  an edgeedge with one O(2)LiVCu2 trigonal pyramid, and edges with two equivalent O(1)Li2V2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiVCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   5.752
_cell_length_c   6.076
_cell_angle_alpha   118.251
_cell_angle_beta   120.728
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.682
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  V  V2  1  0.540  0.790  0.079  1.0
  V  V3  1  0.460  0.210  0.921  1.0
  Cu  Cu4  1  0.000  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.653  0.656  0.307  1.0
  O  O7  1  0.347  0.344  0.693  1.0
  O  O8  1  0.347  0.849  0.693  1.0
  O  O9  1  0.653  0.151  0.307  1.0
  O  O10  1  0.227  0.272  0.044  1.0
  O  O11  1  0.182  0.728  0.956  1.0
  O  O12  1  0.773  0.728  0.956  1.0
  O  O13  1  0.818  0.272  0.044  1.0
[/CIF]
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