data_global
_chemical_name_mineral 'Mullite'
loop_
_publ_author_name
'Fischer R X'
'Schneider H'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 1175
_journal_page_last 1179
_publ_section_title
;
 Crystal structure of Cr-mullite
 Sample: fixed slit, monochromatic
;
_database_code_amcsd 0002492
_chemical_formula_sum 'Al1.97 Cr.25 Si.78 O5.22'
_cell_length_a 7.56712
_cell_length_b 7.70909
_cell_length_c 2.90211
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 169.296
_exptl_crystal_density_diffrn      3.366
_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
AlM1   0.00000   0.00000   0.00000   0.75000   0.00659
CrM1   0.00000   0.00000   0.00000   0.25000   0.00659
AlT   0.14820   0.34160   0.50000   0.50000   0.00874
SiT   0.14820   0.34160   0.50000   0.39000   0.00874
AlT*   0.25990   0.20020   0.50000   0.11000   0.00127
Oab   0.35650   0.42170   0.50000   1.00000   0.01659
Oc   0.50000   0.00000   0.50000   1.00000   0.02026
Oc*   0.43600   0.04790   0.50000   0.11000   0.00887
Od   0.12750   0.22490   0.00000   1.00000   0.01596