data_global
_chemical_name_mineral 'Staurolite'
loop_
_publ_author_name
'Caucia F'
'Callegari A'
'Oberti R'
'Ungaretti L'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 477
_journal_page_last 489
_publ_section_title
;
 Structural aspects of oxidation-dehydrogenation in staurolite
 Sample: T = 600 C
;
_database_code_amcsd 0005374
_chemical_formula_sum 'Si1.9 Al4.85 Fe.86 Mg.19 Zn.01 O9'
_cell_length_a 7.865
_cell_length_b 16.612
_cell_length_c 5.648
_cell_angle_alpha 90
_cell_angle_beta 90.04
_cell_angle_gamma 90
_cell_volume 737.930
_exptl_crystal_density_diffrn      3.434
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
SiT1   0.13432   0.16631   0.24962   0.95000   0.00405
AlT1   0.13432   0.16631   0.24962   0.05000   0.00405
FeT2   0.38949   0.00000   0.24965   0.55000   0.01456
AlT2   0.38949   0.00000   0.24965   0.15000   0.01456
MgT2   0.38949   0.00000   0.24965   0.09000   0.01456
ZnT2   0.38949   0.00000   0.24965   0.01000   0.01456
FeT3   0.12856   0.00000   0.25020   0.04000   0.00494
AlT3   0.12856   0.00000   0.25020   0.10000   0.00494
AlM1A   0.50000   0.17480   0.00000   0.97000   0.00494
MgM1A   0.50000   0.17480   0.00000   0.01000   0.00494
FeM1A   0.50000   0.17480   0.00000   0.02000   0.00494
AlM1B   0.50000   0.17481   0.50000   0.97000   0.00494
MgM1B   0.50000   0.17481   0.50000   0.01000   0.00494
FeM1B   0.50000   0.17481   0.50000   0.02000   0.00494
AlM2   0.26355   0.41100   0.25035   0.94000   0.00671
FeM2   0.26355   0.41100   0.25035   0.06000   0.00671
AlM3A   0.00000   0.00000   0.00000   0.68000   0.00570
MgM3A   0.00000   0.00000   0.00000   0.04000   0.00570
FeM3A   0.00000   0.00000   0.00000   0.06000   0.00570
AlM3B   0.00000   0.00000   0.50000   0.68000   0.00557
MgM3B   0.00000   0.00000   0.50000   0.04000   0.00557
FeM3B   0.00000   0.00000   0.50000   0.06000   0.00557
FeM4A   0.50000   0.00000   0.00000   0.05000   0.01267
MgM4A   0.50000   0.00000   0.00000   0.04000   0.01267
FeM4B   0.50000   0.00000   0.50000   0.05000   0.01317
MgM4B   0.50000   0.00000   0.50000   0.04000   0.01317
O1A   0.23536   0.00000   0.96507   0.50000   0.00937
O1B   0.23581   0.00000   0.53402   0.50000   0.00975
O2A   0.25517   0.16153   0.01533   0.50000   0.00557
O2B   0.25482   0.16153   0.48456   0.50000   0.00557
O3   0.00196   0.08917   0.24895   1.00000   0.00811
O4   0.02150   0.24930   0.24974   1.00000   0.00545
O5   0.52677   0.09984   0.24991   1.00000   0.00545