data_global _amcsd_formula_title 'PbAl2Si2O7(OH)2*H2O' loop_ _publ_author_name 'Dorsam G' 'Liebscher A' 'Wunder B' 'Franz G' 'Gottschalk M' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_volume 188 _journal_year 2011 _journal_page_first 99 _journal_page_last 110 _publ_section_title ; Synthesis of Pb-zoisite and Pb-lawsonite ; _database_code_amcsd 0018958 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb Al2 Si2 O10 H4' _cell_length_a 5.85 _cell_length_b 9.03 _cell_length_c 13.31 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 703.107 _exptl_crystal_density_diffrn 4.547 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb -0.02280 0.33790 0.25000 0.01250 Al 0.23700 0.25620 -0.00100 0.01130 Si -0.01250 0.01350 0.87060 0.00650 O1 0.02700 0.02300 0.25000 0.01800 O2 0.71100 0.38700 0.39090 0.01000 O3 0.00900 0.85600 0.92550 0.01000 O4 -0.02200 0.34800 0.94300 0.00500 O-H5 0.25900 0.40000 0.09760 0.00600 Wat6 -0.05800 0.62600 0.25000 0.02600