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