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