data_global _chemical_name_mineral 'Cobaltarthurite' loop_ _publ_author_name 'Kampf A R' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1387 _journal_page_last 1391 _publ_section_title ; The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco: The location of hydrogen atoms in the arthurite structure-type ; _database_code_amcsd 0006049 _chemical_compound_source 'Bou Azzer district, Morocco' _chemical_formula_sum 'Co Fe2 As2 O14 H12' _cell_length_a 10.2635 _cell_length_b 9.7028 _cell_length_c 5.5711 _cell_angle_alpha 90 _cell_angle_beta 94.2070 _cell_angle_gamma 90 _cell_volume 553.301 _exptl_crystal_density_diffrn 3.341 _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_U_iso_or_equiv Co2+ 0.00000 0.00000 0.00000 0.01070 Fe3+ 0.45610 0.13630 0.33970 0.00750 As 0.29730 0.42770 0.32780 0.00740 O1 0.39890 0.48480 0.11780 0.00970 O2 0.35580 0.48970 0.59950 0.00950 O3 0.14830 0.49040 0.25940 0.01360 O4 0.29700 0.25420 0.32040 0.01090 O-H 0.54170 0.23280 0.07830 0.01100 OW1 0.12890 0.90620 0.29360 0.02030 OW2 0.04600 0.19030 0.13610 0.02430 H 0.58160 0.17890 0.98150 0.05000 H11 0.19910 0.90850 0.24780 0.05000 H12 0.12520 0.93260 0.43180 0.05000 H21 0.10960 0.21730 0.23280 0.05000 H22 0.98390 0.23830 0.18190 0.05000 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 Co2+ 0.01000 0.01180 0.01060 -0.00230 0.00200 -0.00170 Fe3+ 0.00910 0.00750 0.00590 0.00000 0.00080 0.00030 As 0.00740 0.00870 0.00620 0.00010 0.00110 -0.00010 O1 0.01160 0.01130 0.00670 -0.00320 0.00380 -0.00040 O2 0.01170 0.00880 0.00770 0.00020 -0.00090 -0.00130 O3 0.00860 0.01870 0.01360 0.00340 0.00160 0.00300 O4 0.01190 0.00910 0.01170 -0.00060 0.00100 -0.00130 O-H 0.01200 0.01160 0.00990 0.00300 0.00400 0.00210 OW1 0.01900 0.02580 0.01640 -0.00210 0.00290 -0.00130 OW2 0.02060 0.01890 0.03340 -0.00280 0.00210 -0.01420