data_global _chemical_name_mineral 'Agardite-(Y)' loop_ _publ_author_name 'Morrison S M' 'Domanik K J' 'Origlieri M J' 'Downs R T' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 69 _journal_year 2013 _journal_page_first i61 _journal_page_last i62 _publ_section_title ; Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O ; _database_code_amcsd 0019941 _chemical_compound_source 'Jote West mine, Pampa Larga Mining District, Copiapo, Chile' _chemical_formula_sum 'Cu6 (Y.52 Er.02 Dy.01 Yb.01 Ho.01 Ca.43) (As2.484 P.516) O21.001 H12.002' _cell_length_a 13.5059 _cell_length_b 13.5059 _cell_length_c 5.8903 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 930.497 _exptl_crystal_density_diffrn 3.581 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+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 Cu 0.41303 0.31598 0.50234 1.00000 0.01132 Y 0.66667 0.33333 0.25000 0.52000 0.00830 Er 0.66667 0.33333 0.25000 0.02000 0.00830 Dy 0.66667 0.33333 0.25000 0.01000 0.00830 Yb 0.66667 0.33333 0.25000 0.01000 0.00830 Ho 0.66667 0.33333 0.25000 0.01000 0.00830 Ca 0.66667 0.33333 0.25000 0.43000 0.00833 As 0.49505 0.15100 0.75000 0.82800 0.00864 P 0.49505 0.15100 0.75000 0.17200 0.00864 O1 0.57388 0.18198 0.51825 1.00000 0.01617 O2 0.39187 0.40074 0.25000 1.00000 0.01808 O3 0.41239 0.21229 0.75000 1.00000 0.01809 O-H4 0.36879 0.37679 0.75000 1.00000 0.01748 O-H5 0.44213 0.24557 0.25000 1.00000 0.02340 Wat1 0.13381 0.17032 0.25000 0.76800 0.22229 Wat2 0.00000 0.00000 0.50000 0.69700 1.35578 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 Cu 0.01830 0.01532 0.00424 0.01134 0.00056 0.00033 Y 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 Er 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 Dy 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 Yb 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 Ho 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 Ca 0.01012 0.01012 0.00475 0.00506 0.00000 0.00000 As 0.01157 0.00857 0.00544 0.00478 0.00000 0.00000 P 0.01157 0.00857 0.00544 0.00478 0.00000 0.00000 O1 0.01849 0.02148 0.01102 0.01185 0.00389 0.00233 O2 0.02911 0.02520 0.00878 0.02021 0.00000 0.00000 O3 0.02480 0.01971 0.01249 0.01318 0.00000 0.00000 O-H4 0.02666 0.02297 0.00889 0.01697 0.00000 0.00000 O-H5 0.04174 0.02568 0.01082 0.02290 0.00000 0.00000