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 = 800 C
;
_database_code_amcsd 0005376
_chemical_formula_sum 'Si1.9 Al4.82 Fe.84 Mg.18 Zn.01 O12 H'
_cell_length_a 7.861
_cell_length_b 16.638
_cell_length_c 5.604
_cell_angle_alpha 90
_cell_angle_beta 90.00
_cell_angle_gamma 90
_cell_volume 732.955
_exptl_crystal_density_diffrn      3.882
_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   0.13490   0.16813   0.25002   0.95000   0.00519
AlT1   0.13490   0.16813   0.25002   0.05000   0.00519
FeT2   0.38002   0.00000   0.25001   0.45000   0.00671
AlT2   0.38002   0.00000   0.25001   0.17000   0.00671
MgT2   0.38002   0.00000   0.25001   0.08000   0.00671
ZnT2   0.38002   0.00000   0.25001   0.01000   0.00671
FeT3   0.12597   0.00000   0.25006   0.07000   0.00595
AlT3   0.12597   0.00000   0.25006   0.16000   0.00595
AlM1A   0.50000   0.17342   0.00000   0.97000   0.00532
FeM1A   0.50000   0.17342   0.00000   0.03000   0.00532
AlM1B   0.50000   0.17340   0.50000   0.97000   0.00532
FeM1B   0.50000   0.17340   0.50000   0.03000   0.00532
AlM2   0.26418   0.41266   0.24997   0.93000   0.00722
FeM2   0.26418   0.41266   0.24997   0.07000   0.00722
AlM3A   0.00000   0.00000   0.00000   0.59000   0.00583
MgM3A   0.00000   0.00000   0.00000   0.04000   0.00583
FeM3A   0.00000   0.00000   0.00000   0.06000   0.00583
AlM3B   0.00000   0.00000   0.50000   0.59000   0.00608
MgM3B   0.00000   0.00000   0.50000   0.04000   0.00608
FeM3B   0.00000   0.00000   0.50000   0.06000   0.00608
FeM4A   0.50000   0.00000   0.00000   0.06000   0.01089
MgM4A   0.50000   0.00000   0.00000   0.06000   0.01089
FeM4B   0.50000   0.00000   0.50000   0.06000   0.01127
MgM4B   0.50000   0.00000   0.50000   0.06000   0.01127
O1A   0.23846   0.00000   0.97078   0.50000   0.01077
O-H1A   0.23846   0.00000   0.97078   0.50000   0.01077
O1B   0.23845   0.00000   0.52943   0.50000   0.01064
O-H1B   0.23845   0.00000   0.52943   0.50000   0.01064
O2A   0.25579   0.16199   0.01422   1.00000   0.00608
O2B   0.25582   0.16198   0.48579   1.00000   0.00608
O3   0.00355   0.09087   0.25010   1.00000   0.00887
O4   0.02109   0.25054   0.25005   1.00000   0.00583
O5   0.52420   0.09770   0.25000   1.00000   0.00646