data_global
_chemical_name_mineral 'Mullite'
loop_
_publ_author_name
'Popovic J'
'Tkalcec E'
'Grzeta B'
'Kurajica S'
'Schmauch J'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 408
_journal_page_last 411
_publ_section_title
;
 Cobalt incorporation in mullite
 Sample: MU0
;
_database_code_amcsd 0004280
_chemical_formula_sum 'Al2.28 Si.72 O4.86'
_cell_length_a 7.5520
_cell_length_b 7.6872
_cell_length_c 2.8843
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 167.444
_exptl_crystal_density_diffrn      3.163
_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   1.00000   0.00241
AlT   0.14930   0.34060   0.50000   0.50000   0.00456
SiT   0.14930   0.34060   0.50000   0.36000   0.00456
AlT*   0.26400   0.20400   0.50000   0.14000   0.00545
Oab   0.35830   0.42190   0.50000   1.00000   0.00304
Od   0.12730   0.22010   0.00000   1.00000   0.00570
Oc   0.50000   0.00000   0.50000   0.58000   0.01418
Oc*   0.45200   0.04400   0.50000   0.14000   0.01621