data_global _chemical_name_mineral 'Clinoatacamite' loop_ _publ_author_name 'Grice J D' 'Szymanski J T' 'Jambor J L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 73 _journal_page_last 78 _publ_section_title ; The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl ; _database_code_amcsd 0005478 _chemical_formula_sum 'Cu2 O3 Cl' _cell_length_a 6.144 _cell_length_b 6.805 _cell_length_c 9.112 _cell_angle_alpha 90 _cell_angle_beta 99.55 _cell_angle_gamma 90 _cell_volume 375.692 _exptl_crystal_density_diffrn 3.722 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-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 Cu1 0.00000 0.50000 0.50000 0.01440 Cu2 0.00000 0.00000 0.00000 0.01680 Cu3 0.25860 0.23840 0.74850 0.01550 O1 0.29980 0.29620 0.54700 0.02200 O2 0.41900 -0.01410 0.77270 0.02200 O3 0.25960 0.67920 0.53720 0.01900 Cl 0.11160 -0.00380 0.30680 0.01870