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 #BN82, P = 0 GPa ; _database_code_amcsd 0018953 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ca Al2 Si2 O10 H4' _cell_length_a 5.849 _cell_length_b 8.790 _cell_length_c 13.132 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 675.152 _exptl_crystal_density_diffrn 3.091 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca 0.00000 0.33590 0.25000 Al 0.25000 0.25000 0.00000 Si 0.00000 0.98570 0.12620 O1 0.00000 0.04600 0.25000 O2 0.27800 0.38150 0.11300 O3 0.00000 0.15300 0.05890 O-H4 0.00000 0.63590 0.04690 Wat5 0.00000 0.60000 0.25000