data_global
_amcsd_formula_title 'Cu La2 O4'
loop_
_publ_author_name
'Chaillout C'
'Bordet P'
'Chenavas J'
'Cheong S'
'Fisk Z'
'Marezio M'
'Morosin B'
'Schirber J'
_journal_name_full 'Materials Research Society Symposia Proceedings'
_journal_volume 169 
_journal_year 1990
_journal_page_first 47
_journal_page_last 52
_publ_section_title
;
 Structural aspects of the phase separation in La2CuO4.032
 _cod_database_code 1008572
;
_database_code_amcsd 0016463
_chemical_formula_sum 'La2 Cu O4'
_cell_length_a 5.350
_cell_length_b 13.148
_cell_length_c 5.398
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 379.705
_exptl_crystal_density_diffrn      7.091
_symmetry_space_group_name_H-M 'C m c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1   0.00000   0.36111   0.00690   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
O1   0.00000   0.18307  -0.03560   0.94300
O2   0.25000   0.99303   0.75000   0.99300
O3   0.03000   0.18200   0.10000   0.02400
O4   0.25000   0.24300   0.25000   0.01600
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
La1 0.00550 0.00300 0.00220 0.00000 0.00000 0.00020
Cu1 0.00420 0.00500 0.00010 0.00000 0.00000 0.00000
O1 0.00770 0.00400 0.01230 0.00000 0.00000 -0.00140
O2 0.00550 0.00940 0.00230 0.00000 0.00070 0.00000