data_global
_amcsd_formula_title 'Al F5 H2 K2 O'
loop_
_publ_author_name
'Fourquet J'
'Boulard B'
'Plet F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 81 
_journal_year 1989
_journal_page_first 35
_journal_page_last 39
_publ_section_title
;
 K2 Al F5 H2 O: Location of Hydrogen Atoms by X-Ray Diffraction
 and Raman Spectroscopy Study
 _cod_database_code 1000262
;
_database_code_amcsd 0013660
_chemical_formula_sum 'K2 Al F5 O H2'
_cell_length_a 9.200
_cell_length_b 8.119
_cell_length_c 7.486
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 559.165
_exptl_crystal_density_diffrn      2.592
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.28620   0.21280   0.25000
Al1   0.00000   0.00000   0.00000
F1   0.19220   0.00000   0.00000
F2   0.00000   0.21890   0.00050
F3   0.00000  -0.00120   0.25000
O1   0.00000   0.46360   0.25000
H1   0.00000   0.40300   0.15660
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
K1 0.03140 0.02510 0.02110 0.00600 0.00000 0.00000
Al1 0.01710 0.01250 0.00880 0.00000 0.00000 -0.00030
F1 0.01990 0.05080 0.02530 0.00000 0.00000 -0.01330
F2 0.06190 0.01320 0.02140 0.00000 0.00000 -0.00160
F3 0.04110 0.02790 0.00860 0.00000 0.00000 0.00000
O1 0.05290 0.02250 0.02190 0.00000 0.00000 0.00000