data_9002262
_publ_section_title
;
 The crystal structure of gearksutite, CaAlF4(OH).H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              231
_journal_page_last               235
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al Ca F4 O2'
_chemical_name_mineral           Gearksutite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.12
_cell_angle_beta                 94.86
_cell_angle_gamma                110.07
_cell_length_a                   4.940
_cell_length_b                   6.810
_cell_length_c                   6.978
_cell_volume                     213.435
_exptl_crystal_density_diffrn    2.724
_[local]_cod_chemical_formula_sum_orig 'Ca Al F4 O2'
_cod_database_code               9002262
loop_
_symmetry_equiv_pos_as_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
