data_global _chemical_name_mineral 'Giniite' loop_ _publ_author_name 'Adcock C T' 'Hausrath E M' 'Rampe E B' 'Yang H' 'Downs R T' _journal_name_full 'American Mineralogist' _journal_volume 108 _journal_year 2023 _journal_page_first 430 _journal_page_last 438 _publ_section_title ; The crystal structure and chemistry of natural giniite and implications for Mars ; _database_code_amcsd 0021208 _chemical_compound_source 'Sandamab pegmatite, Namibia, RRUFF# R060765' _chemical_formula_sum 'Fe5 P4 O20 H6' _cell_length_a 10.3472 _cell_length_b 5.1497 _cell_length_c 14.2338 _cell_angle_alpha 90 _cell_angle_beta 111.175 _cell_angle_gamma 90 _cell_volume 707.238 _exptl_crystal_density_diffrn 3.424 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,1/2-z' '1/2+x,-y,1/2+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 0.97559 -0.24625 0.25478 0.01006 Fe2 0.75000 0.21898 0.75000 0.00619 Fe3 0.75558 0.48901 0.51184 0.00646 P1 0.55670 0.72166 0.62842 0.00450 P2 0.93837 0.24451 0.37905 0.00566 O1 0.40010 0.73250 0.57249 0.00940 O2 0.59412 0.47650 0.69647 0.00850 O3 0.63710 0.71580 0.55790 0.00960 O4 0.59566 0.96360 0.69697 0.00860 O5 0.09550 0.26880 0.41791 0.01030 O6 0.87460 0.30040 0.45726 0.01110 O7 0.87710 0.43840 0.28939 0.01170 O8 0.89750 -0.03070 0.33714 0.01090 O9H 0.80558 0.23370 0.62760 0.00770 O10W 0.80220 -0.21740 0.11126 0.00910 H1 0.80600 0.07100 0.60300 0.01700 H2 0.82600 -0.07700 0.09500 0.01600 H3 0.72900 -0.17500 0.12100 0.04700 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Fe1 0.00980 0.01023 0.01112 0.00082 0.00499 -0.00070 Fe2 0.00530 0.00630 0.00670 0.00000 0.00197 0.00000 Fe3 0.00517 0.00782 0.00680 -0.00078 0.00266 -0.00126 P1 0.00390 0.00460 0.00500 -0.00010 0.00170 -0.00020 P2 0.00450 0.00620 0.00670 -0.00040 0.00250 -0.00120 O1 0.00540 0.00900 0.01160 -0.00070 0.00050 -0.00160 O2 0.00840 0.00700 0.01080 0.00170 0.00450 0.00350 O3 0.01110 0.01030 0.01070 0.00210 0.00780 0.00160 O4 0.00760 0.00760 0.00980 -0.00310 0.00240 -0.00430 O5 0.00560 0.01140 0.01350 -0.00190 0.00300 -0.00210 O6 0.00910 0.01530 0.01240 0.00120 0.00800 -0.00280 O7 0.01030 0.01310 0.01020 0.00080 0.00190 0.00500 O8 0.01010 0.00780 0.01610 -0.00130 0.00650 -0.00310 O9H 0.01070 0.00630 0.00710 0.00040 0.00440 -0.00030 O10W 0.00890 0.00930 0.01040 0.00090 0.00510 0.00060