data_global _amcsd_formula_title 'Na.41[Na.125Mg.79Al.085]2[Al.79Si.21]6O12' loop_ _publ_author_name 'Pamato M G' 'Kurnosov A' 'Ballaran T B' 'Trots D M' 'Caracas R' 'Frost D J' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 1562 _journal_page_last 1569 _publ_section_title ; Hexagonal Na0.41[Na0.125Mg0.79Al0.085]2[Al0.79Si0.21]6O12 (NAL phase): Crystal structure refinement and elasticity ; _database_code_amcsd 0020398 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Al2.455 Si.63 Mg.79 Na.33 O6' _cell_length_a 8.7225 _cell_length_b 8.7225 _cell_length_c 2.7664 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 182.275 _exptl_crystal_density_diffrn 3.766 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-y,-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 Al1 0.98946 0.34353 0.25000 0.79000 0.00559 Si1 0.98946 0.34353 0.25000 0.21000 0.00559 Mg2 0.66667 0.33333 0.25000 0.79000 0.00930 Al2 0.66667 0.33333 0.25000 0.08500 0.00930 Na2 0.66667 0.33333 0.25000 0.12500 0.00930 Na3 0.00000 0.00000 0.25000 0.20500 0.08900 O1 0.12830 0.59890 0.25000 1.00000 0.00900 O2 0.31240 0.20230 0.25000 1.00000 0.00890 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Al1 0.00580 0.00570 0.00530 0.00290 0.00000 0.00000 Si1 0.00580 0.00570 0.00530 0.00290 0.00000 0.00000 Mg2 0.00930 0.00930 0.00940 0.00466 0.00000 0.00000 Al2 0.00930 0.00930 0.00940 0.00466 0.00000 0.00000 Na2 0.00930 0.00930 0.00940 0.00466 0.00000 0.00000 Na3 0.00700 0.00700 0.25000 0.00350 0.00000 0.00000 O1 0.00690 0.00700 0.01250 0.00290 0.00000 0.00000 O2 0.00890 0.00880 0.01000 0.00530 0.00000 0.00000