data_global
_amcsd_formula_title 'Cu La2 O6 Ti'
loop_
_publ_author_name
'Palacin M'
'Bassas J'
'Rodriguez-Carvajal J'
'Gomez-Romero P'
_journal_name_full 'Journal of Materials Chemistry'
_journal_volume 3 
_journal_year 1993
_journal_page_first 1171
_journal_page_last 1177
_publ_section_title
;
 Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide
 precursors and sol-gel methods, and study of the structure and Cu-Ti
 distribution by X-ray and neutron diffraction
 _cod_database_code 1006097
;
_database_code_amcsd 0013070
_chemical_formula_sum 'La (Cu.496 Ti.504) O3'
_cell_length_a 5.6262
_cell_length_b 7.8396
_cell_length_c 5.5702
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 245.686
_exptl_crystal_density_diffrn      6.557
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  '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'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1   0.03870   0.25000  -0.00970   1.00000
Cu1   0.00000   0.00000   0.50000   0.49600
Ti1   0.00000   0.00000   0.50000   0.50400
O1   0.48300   0.25000   0.07590   1.00000
O2   0.28910   0.04000   0.71160   1.00000