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 air ; _database_code_amcsd 0004673 _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 13.084 _cell_length_b 13.084 _cell_length_c 13.784 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2359.698 _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 0.36590 0.36430 0.11440 0.94800 0.06420 NaK 0.36590 0.36430 0.11440 0.02600 0.06420 FeT1 0.05760 0.39640 0.16660 0.00300 0.02420 AlT1 0.05760 0.39640 0.16660 0.33000 0.02420 SiT1 0.05760 0.39640 0.16660 0.66700 0.02420 FeT2 0.16780 0.61140 0.12840 0.00300 0.02440 AlT2 0.16780 0.61140 0.12840 0.33000 0.02440 SiT2 0.16780 0.61140 0.12840 0.66700 0.02440 FeT3 0.39220 0.64190 0.08600 0.00300 0.02370 AlT3 0.39220 0.64190 0.08600 0.33000 0.02370 SiT3 0.39220 0.64190 0.08600 0.66700 0.02370 O1 0.13280 0.31440 0.11050 1.00000 0.04000 O2 0.09180 0.51150 0.13110 1.00000 0.03600 O3 0.14600 0.68060 0.22740 1.00000 0.03200 O4 0.13410 0.68560 0.03670 1.00000 0.03600 O5 0.28960 0.57520 0.12010 1.00000 0.03200 O6 0.48280 0.61770 0.16660 1.00000 0.03100