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: MU1
;
_database_code_amcsd 0004281
_chemical_formula_sum 'Al2.25 Co.015 Si.735 O4.86'
_cell_length_a 7.5618
_cell_length_b 7.6882
_cell_length_c 2.8860
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 167.782
_exptl_crystal_density_diffrn      3.167
_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   0.98500   0.00367
CoM1   0.00000   0.00000   0.00000   0.01500   0.00367
AlT   0.14970   0.33980   0.50000   0.49250   0.00532
SiT   0.14970   0.33980   0.50000   0.36750   0.00532
AlT*   0.26400   0.20300   0.50000   0.14000   0.00519
Oab   0.35810   0.42160   0.50000   1.00000   0.00279
Od   0.12890   0.22020   0.00000   1.00000   0.00507
Oc   0.50000   0.00000   0.50000   0.58000   0.01077
Oc*   0.44700   0.05600   0.50000   0.14000   0.01368