data_global _chemical_name_mineral 'Mansfieldite' loop_ _publ_author_name 'Zoppi M' 'Pratesi G' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 65 _journal_year 2009 _journal_page_first i6 _journal_page_last i7 _publ_section_title ; Rietveld refinment of a natural cobaltian mansfieldite from synchrotron data ; _database_code_amcsd 0010489 _chemical_compound_source 'Mt. Cobalt, Cloncurry District, Queensland, Australia' _chemical_formula_sum '(Al.95 Co.05) As O6 H4' _cell_length_a 8.79263 _cell_length_b 9.79795 _cell_length_c 10.08393 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 868.728 _exptl_crystal_density_diffrn 3.112 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-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 Al1 0.14780 0.18068 0.12682 0.95000 0.00870 Co1 0.14780 0.18068 0.12682 0.05000 0.00870 As2 0.03632 -0.13857 0.15042 1.00000 0.00875 O1 0.01060 0.03080 0.14400 1.00000 0.00550 O2 0.00030 -0.19860 0.30050 1.00000 0.00770 O3 0.22080 -0.17290 0.11050 1.00000 0.00860 O4 -0.08150 -0.21710 0.04340 1.00000 0.00630 O5w 0.22960 0.12440 0.29390 1.00000 0.01820 O6w 0.31860 0.06960 0.05590 1.00000 0.01640 H51 0.19000 0.17000 0.35400 1.00000 0.08000 H52 0.30900 0.11400 0.30100 1.00000 0.03600 H61 0.34700 0.09300 -0.01000 1.00000 0.03300 H62 0.29500 -0.02300 0.05300 1.00000 0.04700