data_global _chemical_name_mineral 'Eriochalcite' loop_ _publ_author_name 'Peterson S' 'Levy H' _journal_name_full 'Journal of Chemical Physics' _journal_volume 26 _journal_year 1957 _journal_page_first 220 _journal_page_last 221 _publ_section_title ; Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction _cod_database_code 1008760 ; _database_code_amcsd 0016637 _chemical_formula_sum 'Cu O2 Cl2 H4' _cell_length_a 7.395 _cell_length_b 8.056 _cell_length_c 3.728 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 222.092 _exptl_crystal_density_diffrn 2.549 _symmetry_space_group_name_H-M 'P b m n' 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' '-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 Cu1 0.00000 0.00000 0.00000 O1 0.00000 0.23900 0.00000 Cl1 0.24020 0.00000 0.38040 H1 0.08220 0.30650 0.12950