data_global _chemical_name_mineral 'Lawsonite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 833 _journal_page_last 841 _publ_section_title ; Effects of temperature and pressure on the structure of lawsonite P = 28.7 kbar, T = 23 C ; _database_code_amcsd 0001802 _chemical_formula_sum 'Ca Al2 Si2 O10' _cell_length_a 8.717 _cell_length_b 5.805 _cell_length_c 13.036 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 659.650 _exptl_crystal_density_diffrn 3.124 _symmetry_space_group_name_H-M 'C c m 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 _atom_site_U_iso_or_equiv Ca 0.33220 0.00000 0.25000 0.01220 Al 0.25000 0.25000 0.00000 0.00730 Si 0.97970 0.00000 0.13340 0.00840 O1 0.05100 0.00000 0.25000 0.00540 O2 0.37760 0.27300 0.11790 0.01100 O3 0.13700 0.00000 0.06440 0.01200 O4 0.63580 0.00000 0.04750 0.01200 O5 0.61000 0.00000 0.25000 0.01900