data_global
_chemical_name_mineral 'Gearksutite'
loop_
_publ_author_name
'Marchetti F'
'Perchiazzi N'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 231
_journal_page_last 235
_publ_section_title
;
 The crystal structure of gearksutite, CaAlF4(OH).H2O
;
_database_code_amcsd 0002346
_chemical_formula_sum 'Ca Al F4 O2'
_cell_length_a 4.940
_cell_length_b 6.810
_cell_length_c 6.978
_cell_angle_alpha 101.12
_cell_angle_beta 94.86
_cell_angle_gamma 110.07
_cell_volume 213.435
_exptl_crystal_density_diffrn      2.724
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Ca   0.35620   0.38760   0.22250   0.01000
Al  -0.00550   0.82810   0.33840   0.00800
F1   0.23150   0.68510   0.29420   0.01400
F2   0.19980   0.02050   0.20800   0.01300
F3   0.73420   0.67460   0.11460   0.01300
F4   0.23430   0.37010   0.53940   0.01200
OW   0.78350   0.25240   0.14990   0.01500
O1   0.22020   0.99480   0.58840   0.00900