data_global _chemical_name_mineral 'Gormanite' loop_ _publ_author_name 'Le Bail A' 'Stephens P W' 'Hubert F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 719 _journal_page_last 723 _publ_section_title ; A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data Note: sample is exactly in middle of souzalite/gormanite series ; _database_code_amcsd 0019923 _chemical_compound_source 'Rapid Creek, Yukon, Canada' _chemical_formula_sum 'Fe1.642 Mg1.5 P4 Al3.858 O24 H10' _cell_length_a 7.2223 _cell_length_b 11.7801 _cell_length_c 5.1169 _cell_angle_alpha 90.158 _cell_angle_beta 109.938 _cell_angle_gamma 81.330 _cell_volume 404.018 _exptl_crystal_density_diffrn 3.083 _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_occupancy _atom_site_U_iso_or_equiv Fe 0.00000 0.00000 0.00000 0.58400 0.00671 Mg 0.00000 0.00000 0.00000 0.41600 0.00671 Mg 0.92630 0.27330 0.97290 0.54200 0.00671 Fe 0.92630 0.27330 0.97290 0.45800 0.00671 P1 0.26350 0.56160 0.61240 1.00000 0.01001 P2 0.12680 0.14460 0.56040 1.00000 0.01001 Al1 0.00000 0.50000 0.00000 0.85800 0.00291 Fe1 0.00000 0.50000 0.00000 0.14200 0.00291 Al2 0.50000 0.00000 0.50000 1.00000 0.00291 Al3 0.59260 0.69750 0.52580 1.00000 0.00291 O1 0.12590 0.58440 0.30780 1.00000 0.00405 O2 0.85510 0.42250 0.18510 1.00000 0.00405 O3 0.38010 0.43700 0.65110 1.00000 0.00405 O4 0.41110 0.65200 0.68510 1.00000 0.00405 O5 0.00720 0.14200 0.75260 1.00000 0.00405 O6 0.99290 0.14110 0.25660 1.00000 0.00405 O7 0.22210 0.25460 0.60580 1.00000 0.00405 O8 0.70470 0.96360 0.35940 1.00000 0.00405 O-H9 0.51810 0.84510 0.63720 1.00000 0.02457 O-H10 0.37540 0.74430 0.15450 0.50000 0.02457 Wat10 0.37540 0.74430 0.15450 0.50000 0.02457 O-H11 0.79510 0.64270 0.89110 1.00000 0.02457 O-H12 0.31840 0.96290 0.13560 0.50000 0.02457 Wat12 0.31840 0.96290 0.13560 0.50000 0.02457