data_global _chemical_name_mineral 'Nantokite' loop_ _publ_author_name 'Hull S' 'Keen D A' _journal_name_full 'Physical Review' _journal_volume B50 _journal_year 1994 _journal_page_first 5868 _journal_page_last 5885 _publ_section_title ; High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.52 GPa Note: known as CuCl-IV ; _database_code_amcsd 0015186 _chemical_formula_sum 'Cu Cl' _cell_length_a 6.4162 _cell_length_b 6.4162 _cell_length_c 6.4162 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 264.140 _exptl_crystal_density_diffrn 4.979 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu 0.62970 0.62970 0.62970 0.02672 Cl 0.15270 0.15270 0.15270 0.01532