data_global _chemical_name_mineral 'Leucite' loop_ _publ_author_name 'Gatta G D' 'Rotiroti N' 'Ballaran T B' 'Pavese A' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1588 _journal_page_last 1596 _publ_section_title ; Leucite at high pressure: Elastic behavior, phase stability, and petrological implications Note: P = 0.0001 GPa in diamond cell ; _database_code_amcsd 0004674 _chemical_compound_source 'Sabatini volcanic district, Lazium, Italy' _chemical_formula_sum 'K.948 Na.026 (Fe.009 Al.99 Si2.001) O6' _cell_length_a 13.097 _cell_length_b 13.097 _cell_length_c 13.755 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2359.415 _exptl_crystal_density_diffrn 2.444 _symmetry_space_group_name_H-M 'I 41/a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '3/4+y,1/4-x,1/4-z' '1/4+y,3/4-x,3/4-z' '3/4-y,1/4+x,1/4+z' '1/4-y,3/4+x,3/4+z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '3/4-y,3/4+x,3/4-z' '1/4-y,1/4+x,1/4-z' '3/4+y,3/4-x,3/4+z' '1/4+y,1/4-x,1/4+z' '-x,-y,-z' '1/2-x,1/2-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 KK 0.36444 0.36320 0.11460 0.94800 0.06300 NaK 0.36444 0.36320 0.11460 0.02600 0.06300 FeT1 0.05860 0.39660 0.16680 0.00300 0.01200 AlT1 0.05860 0.39660 0.16680 0.33000 0.01200 SiT1 0.05860 0.39660 0.16680 0.66700 0.01200 FeT2 0.16830 0.61010 0.12810 0.00300 0.01200 AlT2 0.16830 0.61010 0.12810 0.33000 0.01200 SiT2 0.16830 0.61010 0.12810 0.66700 0.01200 FeT3 0.39250 0.64170 0.08700 0.00300 0.01200 AlT3 0.39250 0.64170 0.08700 0.33000 0.01200 SiT3 0.39250 0.64170 0.08700 0.66700 0.01200 O1 0.13420 0.31250 0.11140 1.00000 0.02000 O2 0.08860 0.51070 0.12840 1.00000 0.02000 O3 0.14410 0.67730 0.22740 1.00000 0.02000 O4 0.13200 0.68370 0.03630 1.00000 0.02000 O5 0.28990 0.57560 0.12210 1.00000 0.02000 O6 0.48390 0.61790 0.16650 1.00000 0.02000