data_global
_chemical_name_mineral 'Mullite'
loop_
_publ_author_name
'Voll D'
'Lengauer C'
'Beran A'
'Schneider H'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 591
_journal_page_last 604
_publ_section_title
;
 Infrared band assignment and structural refinement of
 Al-Si, Al-Ge, and Ga-Ge mullites
 Sample: Al-Si single-crystal
;
_database_code_amcsd 0006888
_chemical_formula_sum 'Al2.41 Si.59 O4.793'
_cell_length_a 7.5817
_cell_length_b 7.6813
_cell_length_c 2.8865
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 168.102
_exptl_crystal_density_diffrn      3.127
_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
AlM   0.00000   0.00000   0.00000   1.00000   0.00659
AlT   0.14901   0.33994   0.50000   0.50000   0.00722
SiT   0.14901   0.33994   0.50000   0.29500   0.00722
AlT*   0.26220   0.20550   0.50000   0.20500   0.00671
Od   0.12770   0.21810   0.00000   1.00000   0.01406
Oab   0.35870   0.42240   0.50000   1.00000   0.01305
Oc   0.50000   0.00000   0.50000   0.38300   0.02280
Oc*   0.45100   0.04900   0.50000   0.20500   0.01013