data_global _chemical_name_mineral 'Landesite' loop_ _publ_author_name 'Moore P B' 'Araki T' 'Kampf A R' _journal_name_full 'Mineralogical Magazine' _journal_volume 43 _journal_year 1980 _journal_page_first 789 _journal_page_last 795 _publ_section_title ; Nomenclature of the phosphoferrite structure type: refinements of landesite and kryzhanovskite ; _database_code_amcsd 0014472 _chemical_formula_sum 'Mn2 Fe P2 O11 H6' _cell_length_a 9.458 _cell_length_b 10.185 _cell_length_c 8.543 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 822.945 _exptl_crystal_density_diffrn 3.307 _symmetry_space_group_name_H-M 'P b n a' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,z' 'x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-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_U_iso_or_equiv Mn2+M2 0.06251 0.10100 0.63964 0.01659 Fe3+M1 0.00000 0.00000 0.00000 0.01431 P 0.20733 0.10506 0.29235 0.00950 O1 0.21550 0.25260 0.32940 0.01406 O2 0.10510 0.03780 0.40740 0.01330 O3 0.35660 0.04440 0.30870 0.01786 O4 0.15850 0.08780 0.12270 0.02609 Wat1 -0.09450 0.25000 0.50000 0.02343 Wat2 -0.02930 0.33220 0.13630 0.01824 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 Mn2+M2 0.01486 0.01755 0.01753 -0.00844 -0.00037 0.00181 Fe3+M1 0.01183 0.01303 0.01815 -0.00102 -0.00180 -0.00071 P 0.00548 0.00962 0.01324 -0.00102 0.00123 -0.00035 O1 0.01065 0.00920 0.02263 0.00127 0.00090 0.00018 O2 0.00748 0.01529 0.01716 -0.00337 0.00430 0.00159 O3 0.00761 0.01503 0.03109 0.00298 0.00516 0.00053 O4 0.02261 0.04089 0.01412 -0.01493 0.00156 -0.00353 Wat1 0.02515 0.01944 0.02588 0.00000 0.00000 -0.00436 Wat2 0.00983 0.01834 0.02647 -0.00278 -0.00057 -0.00445