data_global
_amcsd_formula_title 'Cu2.67 Li1.33 Nb1.33 O12 Ti2.67'
loop_
_publ_author_name
'Mouron P'
'Choisnet J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 66 
_journal_year 1987
_journal_page_first 311
_journal_page_last 317
_publ_section_title
;
 New substituted copper titanates with the Ca Cu3 Ti4 O12
 structure: Li (Cu3-x Lix) (Ti3-x M1+x) O12 (M(V)=Nb:
 12<x<.33; M(V)=Ta: x=.33)
 _cod_database_code 1001354
;
_database_code_amcsd 0013594
_chemical_formula_sum 'Li1.29 Cu2.67 (Ti2.68 Nb1.32) O12'
_cell_length_a 7.4314
_cell_length_b 7.4314
_cell_length_c 7.4314
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 410.404
_exptl_crystal_density_diffrn      5.030
_symmetry_space_group_name_H-M 'I m 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'z,x,-y'
  '1/2+z,1/2+x,1/2-y'
  'z,-x,y'
  '1/2+z,1/2-x,1/2+y'
  '-z,x,y'
  '1/2-z,1/2+x,1/2+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  'y,-z,-x'
  '1/2+y,1/2-z,1/2-x'
  '-y,-z,x'
  '1/2-y,1/2-z,1/2+x'
  '-y,z,-x'
  '1/2-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '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,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '-z,-x,y'
  '1/2-z,1/2-x,1/2+y'
  '-z,x,-y'
  '1/2-z,1/2+x,1/2-y'
  'z,-x,-y'
  '1/2+z,1/2-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '-y,z,x'
  '1/2-y,1/2+z,1/2+x'
  'y,z,-x'
  '1/2+y,1/2+z,1/2-x'
  'y,-z,x'
  '1/2+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-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,-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
_atom_site_occupancy
Li1   0.11000   0.06000   0.00000   0.08000
Cu1   0.00000   0.50000   0.50000   0.89000
Li2   0.00000   0.50000   0.50000   0.11000
Ti1   0.25000   0.25000   0.25000   0.67000
Nb1   0.25000   0.25000   0.25000   0.33000
O1   0.31000   0.18000   0.00000   1.00000