data_global _chemical_name_mineral 'Belloite' loop_ _publ_author_name 'Effenberger H' _journal_name_full 'Monatshefte fur Chemie' _journal_volume 115 _journal_year 1984 _journal_page_first 725 _journal_page_last 730 _publ_section_title ; Verfeinerung der Kristallstruktur von Kupfer(II)-hydroxichlorid, Cu(OH)Cl ; _database_code_amcsd 0019167 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu O H Cl' _cell_length_a 5.555 _cell_length_b 6.671 _cell_length_c 6.127 _cell_angle_alpha 90 _cell_angle_beta 114.88 _cell_angle_gamma 90 _cell_volume 205.978 _exptl_crystal_density_diffrn 3.741 _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_U_iso_or_equiv Cu 0.25375 0.11786 -0.03193 0.01153 O 0.15080 0.35250 0.11890 0.01064 H 0.21000 0.35000 0.26000 0.02913 Cl 0.32180 0.40900 -0.31140 0.01317 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 Cu 0.00763 0.00963 0.01609 0.00051 0.00399 -0.00192 O 0.00965 0.00969 0.01236 -0.00170 0.00454 -0.00038 Cl 0.00991 0.01691 0.01111 0.00000 0.00312 0.00019