data_global
_chemical_name_mineral 'Mullite'
loop_
_publ_author_name
'Fischer R X'
'Schmucker M'
'Angerer P'
'Schneider H'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 1513
_journal_page_last 1518
_publ_section_title
;
 Crystal structures of Na and K aluminate mullites
 Sample: Na
;
_database_code_amcsd 0002749
_chemical_formula_sum 'Na.335 Al3 O4.665'
_cell_length_a 7.6819
_cell_length_b 7.6810
_cell_length_c 2.91842
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 172.200
_exptl_crystal_density_diffrn      3.149
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,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
Na   0.08700   0.56100   0.50000   0.16750   0.01773
Al1   0.00000   0.00000   0.00000   1.00000   0.01001
AlT   0.15100   0.33310   0.50000   0.66750   0.01051
AlT*   0.26910   0.19560   0.50000   0.33250   0.01393
Oab   0.36020   0.42110   0.50000   1.00000   0.01659
Oc*   0.48430   0.04580   0.50000   0.33250   0.01393
Od   0.13180   0.21240   0.00000   1.00000   0.01520