data_global _chemical_name_mineral 'Mcguinnessite' loop_ _publ_author_name 'Perchiazzi N' _journal_name_full 'Zeitschrift fur Kristallographie Supplement' _journal_volume 23 _journal_year 2006 _journal_page_first 505 _journal_page_last 510 _publ_section_title ; Crystal structure determination and Rietveld refinement of rosasite and mcguinnessite ; _database_code_amcsd 0011133 _chemical_compound_source 'Red Mountain, California, USA' _chemical_formula_sum '(Cu.94 Mg1.06) C O5 H2' _cell_length_a 12.9181 _cell_length_b 9.3923 _cell_length_c 3.1622 _cell_angle_alpha 90 _cell_angle_beta 111.233 _cell_angle_gamma 90 _cell_volume 357.626 _exptl_crystal_density_diffrn 3.334 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-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 Cu1 0.21170 -0.00430 0.44600 0.79000 0.01470 Mg1 0.21170 -0.00430 0.44600 0.21000 0.01470 Mg2 0.39200 0.22830 0.17900 0.85000 0.01960 Cu2 0.39200 0.22830 0.17900 0.15000 0.01960 C 0.13740 0.27050 0.66140 1.00000 0.08300 O1 0.13110 0.13600 0.72400 1.00000 0.04200 O2 0.22890 0.33610 0.87080 1.00000 0.02700 O3 0.04770 0.34310 0.49000 1.00000 0.03300 O-H4 0.35180 0.09070 0.61400 1.00000 0.03300 O-H5 0.42350 0.37690 -0.25700 1.00000 0.01200