data_global
_chemical_name_mineral 'Fluellite'
loop_
_publ_author_name
'Guy B B'
'Jeffrey G A'
_journal_name_full 'American Mineralogist'
_journal_volume 51
_journal_year 1966
_journal_page_first 1579
_journal_page_last 1592
_publ_section_title
;
 The crystal structure of fluellite, Al2PO4F2(OH).7H2O
;
_database_code_amcsd 151
_chemical_formula_sum 'Al2 P O12 F2 H17.24'
_cell_length_a 8.546
_cell_length_b 11.222
_cell_length_c 21.158
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 2029.12
_exptl_crystal_density_diffrn  2.176
_symmetry_space_group_name_H-M 'F d d d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+x,-y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  '-x,3/4+y,3/4+z'
  '-x,1/4+y,1/4+z'
  '1/2-x,3/4+y,1/4+z'
  '1/2-x,1/4+y,3/4+z'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '3/4+x,3/4+y,-z'
  '3/4+x,1/4+y,1/2-z'
  '1/4+x,3/4+y,1/2-z'
  '1/4+x,1/4+y,-z'
  '3/4-x,3/4-y,z'
  '3/4-x,1/4-y,1/2+z'
  '1/4-x,3/4-y,1/2+z'
  '1/4-x,1/4-y,z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-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
Al   0.0  0.0  0.0  1.0
P   0.125  0.125  0.125  1.0
O1   0.1812  0.9071  0.0033  1.0
O2   0.022  0.0457  0.0834  1.0
O3   0.2415  0.9986  0.8414  1.0
F   0.125  0.125  0.2767  1.0
H1   0.166  0.993  0.874  1.0
H2   0.28  0.06  0.25  0.81
H3   0.29  0.1  0.78  0.75
H4   0.22  0.94  0.81  0.25
H5   0.21  0.9  0.78  0.75
H6   0.34  0.96  0.14  0.5
H7   0.28  0.96  0.0  0.25
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
Al   0.00076  0.00481  0.00594  -0.00088  0.00026  -0.00126
P   0.00291  0.00658  0.0071  0.0  0.0  0.0
O1   0.01266  0.0119  0.01519  0.00583  -0.00114  -0.00215
O2   0.00646  0.01279  0.00848  -0.00063  -0.00089  0.00431
O3   0.0138  0.02761  0.02293  -0.00684  0.00278  0.00202
F   0.00089  0.01178  0.00925  0.00849  0.0  0.0
H1   0.0228  0.0228  0.02279  0.0  0.0  0.0