data_global _chemical_name_mineral 'Paratacamite-(Mg)' loop_ _publ_author_name 'Kampf A R' 'Sciberras M J' 'Leverett P' 'Williams P A' 'Malcherek T' 'Schluter J' 'Welch M D' 'Dini M' 'Donoso A A M' _journal_name_full 'Mineralogical Magazine' _journal_volume 77 _journal_year 2013 _journal_page_first 3113 _journal_page_last 3124 _publ_section_title ; Paratacamite-(Mg), Cu3(Mg,Cu)Cl2(OH)6; a new substituted basic copper chloride mineral from Camerones, Chile ; _database_code_amcsd 0020447 _chemical_compound_source 'Cuya village, Camarones Valley, Arica Province, Chile' _chemical_formula_sum 'Cu3.38 Mg.6 Mn.1 Ni.1 Cl2 O6 H6' _cell_length_a 13.689 _cell_length_b 13.689 _cell_length_c 14.025 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2276.024 _exptl_crystal_density_diffrn 3.622 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 0.00000 0.00000 0.50000 0.38000 0.01170 Mg1 0.00000 0.00000 0.50000 0.60000 0.01170 Mn1 0.00000 0.00000 0.50000 0.10000 0.01170 Ni1 0.00000 0.00000 0.50000 0.10000 0.01170 Cu2 0.50000 0.50000 0.50000 0.38000 0.01200 Mg2 0.50000 0.50000 0.50000 0.60000 0.01200 Mn2 0.50000 0.50000 0.50000 0.10000 0.01200 Ni2 0.50000 0.50000 0.50000 0.10000 0.01200 Cu3 0.41620 0.33220 0.33290 1.00000 0.01140 Cu4 0.41510 0.58180 0.33330 1.00000 0.01170 Cl1 0.00000 0.00000 0.19410 1.00000 0.01600 Cl2 0.50060 0.50040 0.19430 1.00000 0.01470 O1 0.56130 0.62460 0.39620 1.00000 0.01400 O2 0.56250 0.43530 0.39580 1.00000 0.01400 O3 0.36990 0.43410 0.39400 1.00000 0.01600 O4 0.06460 0.12700 0.39530 1.00000 0.01400 H1 0.59880 0.69110 0.43060 1.00000 0.02000 H2 0.59420 0.40000 0.42960 1.00000 0.02000 H3 0.29270 0.39700 0.39640 1.00000 0.02300 H4 0.09390 0.18970 0.43400 1.00000 0.02100 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 0.01210 0.01170 0.01100 0.00605 0.00000 0.00000 Mg1 0.01210 0.01170 0.01100 0.00605 0.00000 0.00000 Mn1 0.01210 0.01170 0.01100 0.00605 0.00000 0.00000 Ni1 0.01210 0.01170 0.01100 0.00605 0.00000 0.00000 Cu2 0.01290 0.01260 0.00960 0.00570 0.00020 0.00040 Mg2 0.01290 0.01260 0.00960 0.00570 0.00020 0.00040 Mn2 0.01290 0.01260 0.00960 0.00570 0.00020 0.00040 Ni2 0.01290 0.01260 0.00960 0.00570 0.00020 0.00040 Cu3 0.01080 0.00980 0.01340 0.00500 -0.00110 -0.00220 Cu4 0.01070 0.01050 0.01390 0.00540 -0.00110 0.00120 Cl1 0.01660 0.01600 0.01500 0.00830 0.00000 0.00000 Cl2 0.01590 0.01610 0.01220 0.00800 0.00010 0.00040 O1 0.00900 0.01000 0.01900 0.00300 -0.00100 -0.00400 O2 0.01200 0.01200 0.01700 0.00600 -0.00200 0.00200 O3 0.01200 0.01100 0.02100 0.00500 0.00400 0.00100 O4 0.01100 0.01300 0.01700 0.00600 -0.00100 -0.00600