data_global
_amcsd_formula_title 'La2CO4.85'
loop_
_publ_author_name
'Attfield J'
'Ferey G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 82 
_journal_year 1989
_journal_page_first 132
_journal_page_last 138
_publ_section_title
;
 Structure determination of La2O2CO3-II and the unusual disordered
 phase La2O2.52(CO3)0.74Li0.52 using powder diffraction
 _cod_database_code 1000464
;
_database_code_amcsd 0013663
_chemical_formula_sum 'La2 O4.846 C.846'
_cell_length_a 4.0852
_cell_length_b 4.0852
_cell_length_c 16.2211
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 234.443
_exptl_crystal_density_diffrn      5.178
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La   0.33333   0.66667   0.09422   1.00000
O1   0.33333   0.66667   0.55660   1.00000
O2   0.00000   0.00000   0.18040   1.00000
C   0.05800   0.11600   0.25000   0.28200
O3   0.22800   0.45600   0.25000   0.28200
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
La 0.27774 0.27774 8.98444 0.13887 0.00000 0.00000