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 411 _chemical_formula_sum 'Fe2.59 Mn.27 P2 O14 H10' _cell_length_a 10.0 _cell_length_b 9.73 _cell_length_c 5.471 _cell_angle_alpha 90.0 _cell_angle_beta 93.8 _cell_angle_gamma 90.0 _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 0.0 0.0 0.0 0.59 0.02406 Mn1 0.0 0.0 0.0 0.27 0.02406 Fe2 0.4603 0.1373 0.341 1.0 0.0342 P 0.3027 0.4256 0.325 1.0 0.00887 O1 0.393 0.477 0.124 1.0 0.02026 O2 0.359 0.481 0.579 1.0 0.0266 O3 0.158 0.482 0.275 1.0 0.03166 O4 0.304 0.262 0.317 1.0 0.03673 O-H 0.556 0.235 0.076 1.0 0.02026 Wat1 0.134 -0.102 0.298 1.0 0.03926 Wat2 0.047 0.183 0.188 1.0 0.04179