data_global _chemical_name_mineral 'Vauxite' loop_ _publ_author_name 'Baur W H' 'Rama Rao B' _journal_name_full 'American Mineralogist' _journal_volume 53 _journal_year 1968 _journal_page_first 1025 _journal_page_last 1033 _publ_section_title ; The crystal structure and the chemical composition of vauxite ; _database_code_amcsd 0000176 _chemical_formula_sum 'Fe Al2 P2 O16 H14' _cell_length_a 9.13 _cell_length_b 11.59 _cell_length_c 6.14 _cell_angle_alpha 98.3 _cell_angle_beta 92.0 _cell_angle_gamma 108.4 _cell_volume 607.797 _exptl_crystal_density_diffrn 2.414 _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 Fe1 0.00000 0.00000 0.00000 0.01393 Fe2 0.00000 0.50000 0.00000 0.00760 Al1 0.66700 0.29100 0.18700 0.00760 Al2 0.00000 0.50000 0.50000 0.00633 Al3 0.50000 0.50000 0.00000 0.00633 P1 0.99000 0.26400 0.21500 0.00887 P2 0.31000 0.63900 0.29100 0.00633 Op1 0.81200 0.20800 0.20200 0.01013 Op2 0.03500 0.32900 0.01500 0.01140 Op3 0.04600 0.35300 0.42900 0.01013 Op4 0.06300 0.16000 0.21100 0.01520 Op5 0.13700 0.57100 0.29600 0.00760 Op6 0.62500 0.28500 0.48300 0.00887 Op7 0.32900 0.72500 0.12100 0.01013 Op8 0.39600 0.54600 0.22800 0.01013 O-H9 0.53200 0.38400 0.16500 0.01140 O-H10 0.83800 0.44800 0.25800 0.00887 Wat11 0.76800 0.96100 0.14200 0.01900 Wat12 0.05800 0.90700 0.27600 0.03420 Wat13 0.50200 0.13600 0.12000 0.01267 Wat14 0.69400 0.62000 0.14300 0.01393 Wat15 0.38000 0.95800 0.34100 0.02406 Wat16 0.70600 0.80800 0.46800 0.01900