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 powder data
;
_database_code_amcsd 0006889
_chemical_formula_sum 'Al2.34 Si.66 O4.83'
_cell_length_a 7.5655
_cell_length_b 7.6883
_cell_length_c 2.8851
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 167.814
_exptl_crystal_density_diffrn      3.146
_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   0.01140
AlT   0.14880   0.34080   0.50000   0.50000   0.01229
SiT   0.14880   0.34080   0.50000   0.33000   0.01229
AlT*   0.26550   0.20690   0.50000   0.17000   0.01520
Od   0.12620   0.21900   0.00000   1.00000   0.01824
Oab   0.35830   0.42230   0.50000   1.00000   0.01710
Oc   0.50000   0.00000   0.50000   0.49000   0.01646
Oc*   0.44900   0.05100   0.50000   0.17000   0.01773