data_global _chemical_name_mineral 'Whitmoreite' loop_ _publ_author_name 'Moore P B' 'Kampf A R' 'Irving A J' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 900 _journal_page_last 905 _publ_section_title ; Whitmoreite, FeFe2(OH)2(H2O)4[PO4]2, a new species: Its description and atomic arrangement ; _database_code_amcsd 0000411 _chemical_formula_sum 'Fe2.59 Mn.27 P2 O14 H10' _cell_length_a 10.00 _cell_length_b 9.73 _cell_length_c 5.471 _cell_angle_alpha 90 _cell_angle_beta 93.8 _cell_angle_gamma 90 _cell_volume 531.158 _exptl_crystal_density_diffrn 2.848 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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_occupancy _atom_site_U_iso_or_equiv Fe1 0.00000 0.00000 0.00000 0.59000 0.02406 Mn1 0.00000 0.00000 0.00000 0.27000 0.02406 Fe2 0.46030 0.13730 0.34100 1.00000 0.03420 P 0.30270 0.42560 0.32500 1.00000 0.00887 O1 0.39300 0.47700 0.12400 1.00000 0.02026 O2 0.35900 0.48100 0.57900 1.00000 0.02660 O3 0.15800 0.48200 0.27500 1.00000 0.03166 O4 0.30400 0.26200 0.31700 1.00000 0.03673 O-H 0.55600 0.23500 0.07600 1.00000 0.02026 Wat1 0.13400 -0.10200 0.29800 1.00000 0.03926 Wat2 0.04700 0.18300 0.18800 1.00000 0.04179