data_global _chemical_name_mineral 'Guanacoite' loop_ _publ_author_name 'Kyono A' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 501 _journal_page_last 507 _publ_section_title ; Compositional variability and crystal structural features of guanacoite ; _database_code_amcsd 0004532 _chemical_compound_source 'El Guanaco mine, Chile' _chemical_formula_sum 'Cu1.87 Mg3.13 As2 O16 H12' _cell_length_a 5.459 _cell_length_b 16.808 _cell_length_c 6.917 _cell_angle_alpha 90 _cell_angle_beta 100.44 _cell_angle_gamma 90 _cell_volume 624.162 _exptl_crystal_density_diffrn 3.261 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 CuM1 0.00000 0.00000 0.00000 0.16800 0.00785 MgM1 0.00000 0.00000 0.00000 0.83200 0.00785 CuM2 0.48881 0.06213 0.81095 0.85100 0.00250 MgM2 0.48881 0.06213 0.81095 0.14900 0.00250 MgM3 -0.03802 0.12874 0.65934 1.00000 0.00481 As 0.37842 0.11681 0.33403 1.00000 0.00529 O1 0.33930 0.04210 0.16560 1.00000 0.00849 O2 0.61320 0.09550 0.51840 1.00000 0.00849 O3 0.10970 0.13430 0.41220 1.00000 0.00925 O4 0.43460 0.19850 0.20440 1.00000 0.00849 O5 0.15220 0.02200 0.74710 1.00000 0.00709 O6 0.82010 0.10400 0.91530 1.00000 0.00760 O7 0.31340 0.16710 0.83320 1.00000 0.00760 O8 0.12530 -0.24940 0.33380 1.00000 0.00950 H1 -0.00200 0.00600 0.70700 1.00000 0.01900 H2 0.88400 0.14600 0.00300 1.00000 0.01900 H3 0.33800 0.17700 0.97200 1.00000 0.01900 H4 0.35900 0.21400 0.76800 1.00000 0.01900 H5 0.99300 0.29100 0.19800 1.00000 0.01900 H6 0.71300 0.27020 0.17000 1.00000 0.01900 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 CuM1 0.00710 0.00690 0.00960 0.00020 0.00150 0.00140 MgM1 0.00710 0.00690 0.00960 0.00020 0.00150 0.00140 CuM2 0.00130 0.00090 0.00500 0.00040 0.00000 0.00000 MgM2 0.00130 0.00090 0.00500 0.00040 0.00000 0.00000 MgM3 0.00400 0.00390 0.00640 0.00000 0.00100 0.00040 As 0.00550 0.00420 0.00610 0.00020 0.00090 -0.00020 O1 0.01100 0.00500 0.00900 0.00100 0.00000 -0.00210 O2 0.00700 0.00900 0.00800 0.00100 0.00100 0.00100 O3 0.00800 0.01100 0.01000 0.00000 0.00400 0.00200 O4 0.00900 0.00700 0.01000 -0.00100 0.00200 0.00100 O5 0.00600 0.00500 0.01100 -0.00170 0.00200 -0.00110 O6 0.00700 0.00800 0.00800 0.00030 0.00040 -0.00080 O7 0.00800 0.00500 0.00900 0.00100 -0.00100 0.00220 O8 0.00900 0.00900 0.01100 0.00100 0.00200 0.00100