data_global _chemical_name_mineral 'Wickenburgite' loop_ _publ_author_name 'Lam A E' 'Groat L A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 525 _journal_page_last 532 _publ_section_title ; The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement ; _database_code_amcsd 0005381 _chemical_formula_sum 'Pb3 Ca Al1.97 Fe.03 Si10 O30 H6' _cell_length_a 8.560 _cell_length_b 8.560 _cell_length_c 20.190 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1281.193 _exptl_crystal_density_diffrn 3.845 _symmetry_space_group_name_H-M 'P 3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' '-y,x-y,z' 'y,x,1/2+z' '-x+y,-x,z' '-x,-x+y,1/2+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 Pb 0.29190 0.25860 0.00000 1.00000 0.01200 Ca 0.00000 0.00000 0.14650 1.00000 0.02200 Al1 0.66667 0.33333 0.48520 0.97000 0.01000 Fe1 0.66667 0.33333 0.48520 0.03000 0.01000 Al2 0.33333 0.66667 0.36780 1.00000 0.00400 Si1 0.66667 0.33333 0.13390 1.00000 0.01300 Si2 0.00000 0.00000 0.37310 1.00000 0.01600 Si3 0.66667 0.33333 0.28890 1.00000 0.01300 Si4 0.33333 0.66667 0.20220 1.00000 0.01600 Si5 0.38710 0.05910 0.37820 1.00000 0.01800 Si6 0.06180 0.41210 0.09820 1.00000 0.01900 O1 0.33333 0.66667 0.28000 1.00000 0.01800 O2 0.66667 0.33333 0.21400 1.00000 0.03400 O3 0.00000 0.00000 0.45600 1.00000 0.04100 O4 0.14500 0.50100 0.17200 1.00000 0.02600 O5 0.48900 0.15600 0.10700 1.00000 0.02400 O6 0.51200 0.13700 0.31600 1.00000 0.02300 O7 0.13400 0.57100 0.04300 1.00000 0.02000 O8 0.19700 0.03500 0.34600 1.00000 0.03600 O9 0.08700 0.24100 0.07500 1.00000 0.02400 Wat10 0.22900 0.19700 0.22100 1.00000 0.04500 O11 0.45300 0.21400 0.43500 1.00000 0.01500 O12 0.50500 0.64400 0.40000 1.00000 0.01100