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-Ge powder data
;
_database_code_amcsd 0006890
_chemical_formula_sum 'Al2.36 Ge.64 O4.82'
_cell_length_a 7.6530
_cell_length_b 7.7779
_cell_length_c 2.9252
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 174.120
_exptl_crystal_density_diffrn      3.572
_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   0.01153
AlT   0.15000   0.33910   0.50000   0.50000   0.01241
GeT   0.15000   0.33910   0.50000   0.32000   0.01241
AlT*   0.27010   0.20360   0.50000   0.18000   0.01140
Od   0.12870   0.21280   0.00000   1.00000   0.01798
Oab   0.36310   0.42080   0.50000   1.00000   0.01798
Oc   0.50000   0.00000   0.50000   0.46000   0.02153
Oc*   0.45200   0.04700   0.50000   0.18000   0.01267