data_global
_chemical_name_mineral 'Lanthanite-(Ce)'
loop_
_publ_author_name
'Dal Negro A'
'Rossi G'
'Tazzoli V'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 142
_journal_page_last 146
_publ_section_title
;
 The crystal structure of lanthanite
;
_database_code_amcsd 0000559
_chemical_compound_source 'Bastnas mine, Vastmanland, Sweden'
_chemical_formula_sum '(La Ce) C3 H16 O17'
_cell_length_a 9.504
_cell_length_b 16.943
_cell_length_c 8.937
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1439.092
_exptl_crystal_density_diffrn      2.784
_symmetry_space_group_name_H-M 'P b n b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '-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
_atom_site_U_iso_or_equiv
La1   0.25000   0.25037   0.75000   0.50000   0.01064
Ce1   0.25000   0.25037   0.75000   0.50000   0.01064
La2   0.25000   0.28122   0.25000   0.50000   0.01001
Ce2   0.25000   0.28122   0.25000   0.50000   0.01001
C1   0.25000   0.10660   0.25000   1.00000   0.02305
C2   0.49750   0.71650   0.54280   1.00000   0.01558
H11   0.68600   0.04400   0.65300   1.00000   0.08220
H12   0.64100   0.09600   0.51200   1.00000   0.07675
H21   0.33400   0.13400   0.50600   1.00000   0.05117
H22   0.25200   0.08100   0.61800   1.00000   0.10246
H31   0.37900   0.42300   0.74500   1.00000   0.05763
H32   0.51500   0.13400   0.32400   1.00000   0.07016
O1   0.25000   0.03400   0.25000   1.00000   0.06890
O2   0.34230   0.14690   0.32320   1.00000   0.01773
O3   0.50720   0.79480   0.18750   1.00000   0.01976
O4   0.61640   0.76200   0.97910   1.00000   0.02178
O5   0.38450   0.79190   0.97700   1.00000   0.02102
OW1   0.14780   0.40590   0.37810   1.00000   0.03306
OW2   0.67730   0.37840   0.11400   1.00000   0.02736
OW3   0.88370   0.12090   0.18440   1.00000   0.02381
Wat4   0.60890   0.49570   0.38740   1.00000   0.06725
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 0.00664 0.01585 0.00951 0.00000 0.00112 0.00000
Ce1 0.00664 0.01585 0.00951 0.00000 0.00112 0.00000
La2 0.00631 0.01352 0.01016 0.00000 0.00060 0.00000
Ce2 0.00631 0.01352 0.01016 0.00000 0.00060 0.00000
C1 0.03084 0.01367 0.02501 0.00000 -0.00680 0.00000
C2 0.01391 0.01789 0.01477 0.00098 0.00086 0.00000
O1 0.10172 0.02167 0.08165 0.00000 -0.05000 0.00000
O2 0.01794 0.02094 0.01400 -0.00212 -0.00112 -0.00138
O3 0.01377 0.02836 0.01703 -0.00082 -0.00224 -0.00652
O4 0.01446 0.03243 0.01861 0.00481 0.00112 -0.00384
O5 0.01377 0.03229 0.01631 -0.00351 -0.00641 0.00023
OW1 0.05212 0.02618 0.02068 -0.00424 0.01037 -0.00368
OW2 0.03679 0.02996 0.01521 -0.00008 0.00112 -0.00077
OW3 0.01501 0.02472 0.03176 -0.00033 0.00392 -0.00084
Wat4 0.07198 0.05279 0.07579 0.02814 0.02229 0.03045