data_global _chemical_name_mineral 'Childrenite' loop_ _publ_author_name 'Giuseppetti G' 'Tadini C' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1984 _journal_year 1984 _journal_page_first 263 _journal_page_last 271 _publ_section_title ; The crystal structure of childrenite from Tavistock (SW England), Ch89Eo11 term of childrenite-eosphorite series Note: this is not the preferred model ; _database_code_amcsd 0014786 _chemical_compound_source 'Tavistock, SW England' _chemical_formula_sum '(Fe.89 Mn.11) Al P O5 H3' _cell_length_a 10.395 _cell_length_b 13.394 _cell_length_c 6.918 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 963.198 _exptl_crystal_density_diffrn 2.713 _symmetry_space_group_name_H-M 'B b a m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2+z' '1/2-x,1/2+y,z' '-x,1/2+y,1/2+z' '1/2+x,1/2-y,z' '+x,1/2-y,1/2+z' '-x,-y,z' '1/2-x,-y,1/2+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 Fe 0.13290 0.24990 0.24950 0.89000 0.00773 Mn 0.13290 0.24990 0.24950 0.11000 0.00773 Al 0.25000 0.00000 0.25000 1.00000 0.00545 P 0.37770 0.33240 0.00000 1.00000 0.00418 O1 0.26430 0.25770 0.00000 1.00000 0.00811 O2 0.00770 0.22140 0.00000 1.00000 0.00747 O3 0.25360 0.04870 0.00000 1.00000 0.00646 O4 0.11130 0.40680 0.18260 1.00000 0.00773 O5 0.13110 0.60090 0.31880 1.00000 0.00697 H1 0.27900 0.10700 0.00000 1.00000 0.03926 H2 0.03600 0.41600 0.22500 1.00000 0.02786 H3 0.10000 0.40600 0.04800 1.00000 0.04179 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 Fe 0.00876 0.00909 0.00533 0.00000 0.00000 0.00047 Mn 0.00876 0.00909 0.00533 0.00000 0.00000 0.00047 Al 0.00657 0.00727 0.00218 -0.00282 -0.00036 -0.00047 P 0.00383 0.00454 0.00412 0.00071 0.00000 0.00000 O1 0.00657 0.00727 0.01067 -0.00212 0.00000 0.00000 O2 0.00602 0.01000 0.00679 -0.00353 0.00000 0.00000 O3 0.01040 0.00454 0.00412 -0.00141 0.00000 0.00000 O4 0.00602 0.01000 0.00655 -0.00141 0.00219 -0.00141 O5 0.00766 0.00818 0.00485 0.00212 -0.00073 -0.00188