data_global _chemical_name_mineral 'Atacamite' loop_ _publ_author_name 'Zheng X G' 'Mori T' 'Nishiyama K' 'Higemoto W' 'Yamada H' 'Nishikubo K' 'Xu C N' _journal_name_full 'Physical Review B - Condensed Matter' _journal_volume 71 _journal_year 2005 _journal_page_first 174404 _journal_page_last 8 _publ_section_title ; Antiferromagnetic transitions in polymorphous minerals of the natural cuprates atacamite and botallackite Cu2Cl(OH)3 ; _database_code_amcsd 0019936 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu2 Cl O3 H3' _cell_length_a 6.02797 _cell_length_b 6.86383 _cell_length_c 9.11562 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 377.158 _exptl_crystal_density_diffrn 3.761 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-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_U_iso_or_equiv Cu1 0.00000 0.00000 0.00000 0.00800 Cu2 0.19257 0.25000 0.25603 0.00860 Cl 0.35140 0.75000 0.05650 0.01330 O1 0.14980 0.25000 -0.00690 0.00660 O2 0.43940 0.06360 0.28750 0.00670 H1 0.58500 0.75000 0.05900 0.00660 H2 0.38900 0.57900 0.13300 0.00660