data_1006097
_chemical_name_systematic          'Dilanthanum copper titanium oxide'
_chemical_formula_structural       'La2 Cu Ti O6'
_chemical_formula_sum              'Cu La2 O6 Ti'
_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
;
loop_
_publ_author_name
  'Palacin, M R'
  'Bassas, J'
  'Rodriguez-Carvajal, J'
  'Gomez-Romero, P'
_journal_name_full                 'Journal of Materials Chemistry'
_journal_coden_ASTM                JMACEP
_journal_volume                    3
_journal_year                      1993
_journal_page_first                1171
_journal_page_last                 1177
_journal_issue                     3
_cell_length_a                     5.6262(6)
_cell_length_b                     7.8396(8)
_cell_length_c                     5.5702(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       245.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_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,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  Cu2+   2.000
  Ti4+   4.000
  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
  La1   La3+   4 c 0.0387(6) 0.25 -0.0097(11) 1.  0 d
  Cu1   Cu2+   4 b 0. 0. 0.5 0.496(6)  0 d
  Ti1   Ti4+   4 b 0. 0. 0.5 0.504(6)  0 d
  O1    O2-    4 c 0.483(1) 0.25 0.0759(12) 1.  0 d
  O2    O2-    8 d 0.2891(7) 0.0400(5) 0.7116(7) 1.  0 d
_refine_ls_R_factor_all            0.078