data_global _chemical_name_mineral 'Lawsonite' loop_ _publ_author_name 'Pawley A R' 'Allan D R' _journal_name_full 'Mineralogical Magazine' _journal_volume 65 _journal_year 2001 _journal_page_first 41 _journal_page_last 58 _publ_section_title ; A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa ; _database_code_amcsd 0018955 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Al2 Si2 O10 H4' _cell_length_a 5.197 _cell_length_b 12.863 _cell_length_c 5.681 _cell_angle_alpha 90 _cell_angle_beta 124.48 _cell_angle_gamma 90 _cell_volume 313.053 _exptl_crystal_density_diffrn 3.334 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.31000 0.75000 0.66000 Al1 0.50000 0.00000 0.00000 Al2 0.50000 0.00000 0.50000 Si 0.93400 0.13260 0.93900 O1 0.82400 0.75000 0.84200 O2 0.75500 0.12000 0.67000 O3 0.81200 0.39400 0.20300 O4 0.27400 0.06800 0.15900 O-H5 0.29000 0.05800 0.63000 Wat6 0.73400 0.75000 0.29800