data_global
_amcsd_formula_title 'LiCuVO4'
loop_
_publ_author_name
'Lafontaine M'
'Leblanc M'
'Ferey G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 45 
_journal_year 1989
_journal_page_first 1205
_journal_page_last 1206
_publ_section_title
;
 New refinement of the room-temperature structure of LiCuVO4
 _cod_database_code 1000251
;
_database_code_amcsd 0010079
_chemical_formula_sum 'Li Cu V O4'
_cell_length_a 5.662
_cell_length_b 5.809
_cell_length_c 8.758
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 288.056
_exptl_crystal_density_diffrn      4.276
_symmetry_space_group_name_H-M 'I m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li1   0.25000   0.25000   0.75000
Cu1   0.00000   0.00000   0.00000
V1   0.00000   0.25000   0.38600
O1   0.00000   0.01640   0.27480
O2   0.23520   0.25000  -0.00070
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.00470 0.00270 0.01170 0.00060 0.00000 0.00000
V1 0.00430 0.00360 0.00730 0.00000 0.00000 0.00000
O1 0.01030 0.00530 0.01220 -0.00060 0.00000 0.00000
O2 0.00650 0.00420 0.01160 0.00000 -0.00010 0.00000