data_global _chemical_name_mineral 'Connellite' loop_ _publ_author_name 'Hibbs D E' 'Leverett P' 'Williams P A' _journal_name_full 'Axis' _journal_volume 2 _journal_year 2006 _journal_page_first 1 _journal_page_last 7 _publ_section_title ; Connellite from Bisbee, Arizona: A single-crystal X-ray study ; _database_code_amcsd 0012063 _chemical_compound_source 'Bisbee, Arizona, USA' _chemical_formula_sum 'Cu7.5 Cl.827 O28.487 N.021 S.056 H27.75' _cell_length_a 15.7866 _cell_length_b 15.7866 _cell_length_c 9.1015 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1964.359 _exptl_crystal_density_diffrn 1.677 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu(1) 0.50000 0.00000 0.00000 0.25000 0.01400 Cu(2) 0.20110 0.00000 0.00000 0.50000 0.01200 Cu(3) 0.33640 0.16820 0.75000 0.25000 0.01000 Cu(4) 0.35850 0.01650 0.25000 0.50000 0.01000 Cl(3) 0.00000 0.00000 0.00000 0.04300 0.01100 Cl(1) 0.27720 0.13860 0.25000 0.25000 0.01200 O-H1 0.45040 0.37070 0.09180 1.00000 0.01200 O-H2 0.07490 -0.07490 0.09890 0.50000 0.02000 O-H3 0.67440 0.74420 0.11020 1.00000 0.01100 O-H4 0.44240 0.55760 0.25000 0.25000 0.01400 OW 0.50700 0.25400 0.75000 0.04000 0.01700 Cl(4) 0.66667 0.33333 0.25000 0.03400 0.01500 N(1) 0.66667 0.33333 0.25000 0.02100 0.01500 O(1a) 0.62260 0.37740 0.25000 0.06300 0.01700 O(1b) 0.61500 0.38500 0.25000 0.08400 0.01700 S(1) 0.66667 0.33333 0.29990 0.02800 0.01400 O(1c) 0.66667 0.33333 0.46200 0.02800 0.01400