data_global _chemical_name_mineral 'Ferrisicklerite' loop_ _publ_author_name 'Alberti A' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 32 _journal_year 1976 _journal_page_first 2761 _journal_page_last 2764 _publ_section_title ; Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4 ; _database_code_amcsd 0009574 _chemical_compound_source 'Sidi-Bou-Othmane, Jebilet, Morocco' _chemical_formula_sum 'Li.301 Na.014 Fe.614 Mn.333 Mg.036 Ca.017 P.965 O4' _cell_length_a 5.918 _cell_length_b 10.037 _cell_length_c 4.798 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 284.996 _exptl_crystal_density_diffrn 3.506 _symmetry_space_group_name_H-M 'P m n b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 LiM1 0.00000 0.00000 0.00000 0.30100 0.02533 NaM1 0.00000 0.00000 0.00000 0.01350 0.02533 Fe3+M2 0.25000 0.27815 -0.03639 0.60700 0.00798 MnM2 0.25000 0.27815 -0.03639 0.33300 0.00798 MgM2 0.25000 0.27815 -0.03639 0.03600 0.00798 CaM2 0.25000 0.27815 -0.03639 0.01700 0.00798 Fe2+M2 0.25000 0.27815 -0.03639 0.00700 0.00798 P 0.25000 0.09593 0.41110 0.96500 0.00684 O1 0.25000 0.11485 -0.27659 1.00000 0.01545 O2 0.25000 0.44926 0.17125 1.00000 0.01507 O3 0.04701 0.16877 0.26785 1.00000 0.01482 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 Fe3+M2 0.00834 0.00817 0.00991 0.00000 0.00000 -0.00146 MnM2 0.00834 0.00817 0.00991 0.00000 0.00000 -0.00146 MgM2 0.00834 0.00817 0.00991 0.00000 0.00000 -0.00146 CaM2 0.00834 0.00817 0.00991 0.00000 0.00000 -0.00146 Fe2+M2 0.00834 0.00817 0.00991 0.00000 0.00000 -0.00146 P 0.00798 0.00612 0.00816 0.00000 0.00000 -0.00024 O1 0.01597 0.01837 0.01026 0.00000 0.00000 -0.00122 O2 0.01437 0.00919 0.02134 0.00000 0.00000 0.00244 O3 0.01348 0.01531 0.01423 0.00331 -0.00201 0.00098