data_global _chemical_name_mineral 'Chlorine' loop_ _publ_author_name 'Powell B M' 'Heal K M' 'Torrie B H' _journal_name_full 'Molecular Physics' _journal_volume 53 _journal_year 1984 _journal_page_first 929 _journal_page_last 939 _publ_section_title ; The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Sample: at T = 160 K ; _database_code_amcsd 0014661 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cl' _cell_length_a 6.2929 _cell_length_b 4.5361 _cell_length_c 8.1617 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 232.978 _exptl_crystal_density_diffrn 2.022 _symmetry_space_group_name_H-M 'C m c a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,1/2+y,1/2-z' '1/2+x,+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cl 0.00000 0.12190 0.10060 0.03597 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 Cl 0.04390 0.03520 0.02700 0.00000 0.00000 -0.00100