data_1007065
_chemical_name_systematic          'Vanadium lithium copper oxide'
_chemical_formula_structural       'V Li Cu O4'
_chemical_formula_sum              'Cu Li O4 V'
_publ_section_title
;
Etude cristallographique de l'orthovanadate de lithium-cuivre.
;
loop_
_publ_author_name
  'Joubert, J C'
  'Grenier, J C'
  'Durif, A'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_coden_ASTM                COREAF
_journal_volume                    260
_journal_year                      1965
_journal_page_first                2472
_journal_page_last                 2475
_cell_length_a                     5.652(5)
_cell_length_b                     5.810(5)
_cell_length_c                     8.750(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       287.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I m m a'
_symmetry_Int_Tables_number        74
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,1/2+y,-z'
  'x,1/2-y,z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,-y,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  V5+    5.000
  Cu2+   2.000
  Li1+   1.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  V1    V5+    4 e 0. 0.25 0.375 1.  0 d
  Cu1   Cu2+   4 a 0. 0. 0. 1.  0 d
  Li1   Li1+   4 d 0.25 0.25 0.75 1.  0 d
  O1    O2-    8 h 0. 0. 0.25 1.  0 d
  O2    O2-    8 i 0.25 0.25 0. 1.  0 d