data_global _chemical_name_mineral 'Cobaltaustinite' loop_ _publ_author_name 'Yang H' 'Costin G' 'Keogh J' 'Lu R' 'Downs R T' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 63 _journal_year 2007 _journal_page_first i53 _journal_page_last i55 _publ_section_title ; Cobaltaustinite, CaCo(AsO4)(OH) ; _database_code_amcsd 0010473 _chemical_compound_source 'Dome Rock, Mingary, South Australia, Australia' _chemical_formula_sum 'Ca (Co.95 Cu.05) As O5 H' _cell_length_a 7.4919 _cell_length_b 8.9946 _cell_length_c 5.9158 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 398.646 _exptl_crystal_density_diffrn 4.252 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-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 Ca 0.62941 0.32886 0.52230 1.00000 0.01660 Co 0.25814 0.50516 0.25470 0.95000 0.01450 Cu 0.25814 0.50516 0.25470 0.05000 0.01450 As 0.62045 0.67900 0.48441 1.00000 0.01430 O1 0.44330 0.56130 0.50880 1.00000 0.02100 O2 0.71250 0.43640 0.91210 1.00000 0.02470 O3 0.35210 0.26950 0.76730 1.00000 0.01810 O4 0.39750 0.29450 0.24030 1.00000 0.02230 O5 0.39560 0.57400 0.99440 1.00000 0.02180 H 0.50400 0.50600 0.99000 1.00000 0.06000 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 Ca 0.01510 0.01500 0.01970 0.00100 -0.00070 -0.00090 Co 0.01310 0.01570 0.01490 -0.00050 0.00090 0.00130 Cu 0.01310 0.01570 0.01490 -0.00050 0.00090 0.00130 As 0.01190 0.01390 0.01720 -0.00030 0.00010 -0.00010 O1 0.01900 0.02200 0.02200 -0.00430 -0.00100 -0.00800 O2 0.02100 0.02700 0.02700 0.00600 -0.00400 -0.00200 O3 0.01800 0.01800 0.01800 0.00000 -0.00100 0.00210 O4 0.02600 0.01800 0.02200 -0.00100 -0.00900 0.00100 O5 0.01700 0.02600 0.02300 0.00060 -0.00400 0.00100