data_global
_chemical_name_mineral 'Tornebohmite-(Ce)'
loop_
_publ_author_name
'Shen J'
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 67 
_journal_year 1982
_journal_page_first 1021
_journal_page_last 1028
_publ_section_title
;
 Tornebohmite, RE2Al(OH)[SiO4]2: Crystal structure and genealogy of
 RE(III)Si(IV) <---> Ca(II)P(V) isomorphisms
;
_database_code_amcsd 0000881
_chemical_formula_sum 'Ce2 Si2 Al O9 H'
_cell_length_a 7.383
_cell_length_b 5.673
_cell_length_c 16.937
_cell_angle_alpha 90
_cell_angle_beta 112.04
_cell_angle_gamma 90
_cell_volume 657.545
_exptl_crystal_density_diffrn      5.135
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce1   0.81254   0.73320   0.45628
Ce2   0.21935   0.78459   0.36951
Si1   0.52860   0.25070   0.41870
Si2   0.93120   0.23890   0.33810
Al   0.49290   0.50080   0.25030
O1   0.38220   0.21330   0.46650
O2   0.74880   0.28510   0.48450
O3   0.50830   0.01200   0.36140
O4   0.47910  -0.50970   0.36000
O5   0.04060   0.17330   0.27390
O6   0.69390   0.25610   0.27650
O7   0.99880   0.47640   0.39430
O8   0.98110   0.02340   0.40570
O-H   0.32390   0.24500   0.21440
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
Ce1 0.01050 0.00590 0.00730 0.00000 0.00580 0.00010
Ce2 0.01280 0.00900 0.01150 0.00010 0.00880 -0.00020
Si1 0.00970 0.00400 0.00580 0.00100 0.00380 0.00090
Si2 0.00870 0.00480 0.00550 0.00110 0.00320 -0.00020
Al 0.00770 0.00180 0.00370 0.00030 0.00290 -0.00020
O1 0.03450 0.01990 0.02770 0.00960 0.02810 0.00970
O2 0.01500 0.01220 0.01120 -0.00340 0.00080 0.00080
O3 0.01310 0.00650 0.00720 0.00030 0.00460 -0.00080
O4 0.01460 0.00600 0.00680 0.00080 0.00490 0.00080
O5 0.01330 0.01410 0.01020 0.00010 0.00710 -0.00330
O6 0.01040 0.00660 0.00780 -0.00090 0.00420 0.00130
O7 0.01370 0.00460 0.00950 -0.00070 0.00420 -0.00130
O8 0.01090 0.00770 0.00840 -0.00080 0.00170 0.00160
O-H 0.00880 0.00610 0.00780 0.00120 0.00370 0.00010