data_global
_chemical_name_mineral 'Khademite'
loop_
_publ_author_name
'Bachet B'
'Cesbron F'
'Chevalier R'
_journal_name_full 'Bulletin de Mineralogie'
_journal_volume 104 
_journal_year 1981
_journal_page_first 19
_journal_page_last 22
_publ_section_title
;
 Structure cristalline de la khademite Al(SO4)F*5H2O
;
_database_code_amcsd 0012072
_chemical_formula_sum 'Al S O9 F H10'
_cell_length_a 11.181
_cell_length_b 13.048
_cell_length_c 10.885
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1588.009
_exptl_crystal_density_diffrn      1.942
_symmetry_space_group_name_H-M 'P c a b'
loop_
_space_group_symop_operation_xyz
  'x,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'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1   0.00000   0.50000   0.50000   0.00507
Al2   0.00000   0.50000   0.00000   0.00633
S   0.23840   0.24750   0.24680   0.00760
O1   0.16860   0.25490   0.13200   0.02153
O2   0.30550   0.15000   0.24620   0.02533
O3   0.15790   0.25010   0.35450   0.02026
O4   0.32090   0.33570   0.25360   0.02533
F   0.02940   0.50990   0.15590   0.01393
Ow2   0.00980   0.37560   0.58820   0.01393
Ow3   0.14380   0.41510  -0.02070   0.01520
Ow4  -0.09430   0.38210   0.02880   0.01900
Ow5   0.06890   0.43590   0.36570   0.01520
Ow6  -0.15440   0.46370   0.44200   0.01520
H2d   0.05700   0.35700   0.64800   0.02533
H2b  -0.04700   0.32400   0.59800   0.02533
H3d   0.13900   0.35900   0.03400   0.02533
H3b   0.14900   0.38800  -0.09200   0.02533
H4d  -0.12000   0.34000  -0.03200   0.02533
H4b  -0.12100   0.37100   0.10300   0.02533
H5d   0.06000   0.45900   0.28400   0.02533
H5b   0.10200   0.37500   0.36500   0.02533
H6d  -0.16800   0.43000   0.37300   0.02533
H6b   0.21600   0.49500   0.46700   0.02533