data_global _chemical_name_mineral 'Claringbullite' loop_ _publ_author_name 'Burns P C' 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 633 _journal_page_last 639 _publ_section_title ; Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination ; _database_code_amcsd 0005432 _chemical_formula_sum 'Cu3.99 H6.71 Cl1.29 O6.71' _cell_length_a 6.6733 _cell_length_b 6.6733 _cell_length_c 9.185 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 354.235 _exptl_crystal_density_diffrn 3.876 _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 Cu1 0.50000 0.00000 0.00000 1.00000 ? Cu2 0.37110 0.74220 0.75000 0.33000 ? H 0.12500 0.87500 0.86800 1.00000 0.02000 Cl1 0.66667 0.33333 0.75000 1.00000 ? O-H2 0.00000 0.00000 0.75000 0.71000 ? Cl2 0.00000 0.00000 0.75000 0.29000 ? O1 0.20170 0.79830 0.90820 1.00000 ? 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 Cu1 0.00910 0.00880 0.02560 0.00440 -0.00300 -0.00610 Cu2 0.00860 0.01240 0.00540 0.00620 0.00000 0.00000 Cl1 0.02350 0.02350 0.02470 0.01180 0.00000 0.00000 O-H2 0.03960 0.03960 0.05150 0.01980 0.00000 0.00000 Cl2 0.03960 0.03960 0.05150 0.01980 0.00000 0.00000 O1 0.00840 0.00840 0.01380 0.00340 -0.00170 0.00170