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 = 1.20 GPa ; _database_code_amcsd 0004676 _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 12.955 _cell_length_b 12.955 _cell_length_c 13.684 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2296.613 _exptl_crystal_density_diffrn 2.511 _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 0.36500 0.36400 0.11560 0.94800 0.05000 NaK 0.36500 0.36400 0.11560 0.02600 0.05000 FeT1 0.05520 0.39710 0.16790 0.00300 0.01100 AlT1 0.05520 0.39710 0.16790 0.33000 0.01100 SiT1 0.05520 0.39710 0.16790 0.66700 0.01100 FeT2 0.16720 0.61300 0.12810 0.00300 0.01100 AlT2 0.16720 0.61300 0.12810 0.33000 0.01100 SiT2 0.16720 0.61300 0.12810 0.66700 0.01100 FeT3 0.39200 0.63990 0.08750 0.00300 0.01100 AlT3 0.39200 0.63990 0.08750 0.33000 0.01100 SiT3 0.39200 0.63990 0.08750 0.66700 0.01100 O1 0.13250 0.31540 0.11190 1.00000 0.01600 O2 0.08840 0.51260 0.13110 1.00000 0.01600 O3 0.14660 0.68320 0.22770 1.00000 0.01600 O4 0.13140 0.68760 0.03590 1.00000 0.01600 O5 0.28750 0.57130 0.12090 1.00000 0.01600 O6 0.48430 0.61560 0.16780 1.00000 0.01600