data_global
_chemical_name_mineral 'Staurolite'
loop_
_publ_author_name
'Koch-Muller M'
'Kahlenberg V'
'Bubenick W'
'Gottschalk M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 10 
_journal_year 1998
_journal_page_first 453
_journal_page_last 460
_publ_section_title
;
 Crystal-structure refinement of synthetic Fe- and Mg-staurolite by
 Rietveld analysis of X-ray powder-diffraction data
 Sample: Fe-staurolite synthesized at 25 kbar
;
_database_code_amcsd 0006727
_chemical_formula_sum 'Fe.44 Al2.305 Si.95 O6'
_cell_length_a 7.8719
_cell_length_b 16.6231
_cell_length_c 5.6583
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 740.419
_exptl_crystal_density_diffrn      3.758
_symmetry_space_group_name_H-M 'C c m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
FeT2   0.39420   0.00000   0.25000   0.71000   0.01490
AlT2   0.39420   0.00000   0.25000   0.15000   0.01490
SiT1   0.13240   0.16540   0.25000   0.95000   0.00390
AlT1   0.13240   0.16540   0.25000   0.05000   0.00390
AlM1   0.50000   0.17340   0.00000   0.97000   0.00500
FeM1   0.50000   0.17340   0.00000   0.03000   0.00500
AlM2   0.26810   0.41060   0.25000   0.97000   0.00600
FeM2   0.26810   0.41060   0.25000   0.03000   0.00600
AlM3   0.00000   0.00000   0.00000   0.48000   0.00650
FeM4   0.50000   0.00000   0.00000   0.05000   0.01350
O1   0.23520   0.00000   0.96670   1.00000   0.00960
O2   0.25320   0.16140   0.01430   1.00000   0.00600
O3   0.00110   0.08820   0.25000   1.00000   0.00840
O4   0.01920   0.24630   0.25000   1.00000   0.00590
O5   0.53170   0.09890   0.25000   1.00000   0.00590