data_global
_chemical_name_mineral 'Staurolite'
loop_
_publ_author_name
'Hawthorne F C'
'Ungaretti L'
'Oberti R'
'Caucia F'
'Callegari A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 31 
_journal_year 1993
_journal_page_first 551
_journal_page_last 582
_publ_section_title
;
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: BARR888
;
_database_code_amcsd 0005339
_chemical_compound_source 'Barrhorn, Switzerland'
_chemical_formula_sum 'O12 Si1.992 Al4.474 Mg.047 Zn.613 Li.128 Fe.088'
_cell_length_a 7.8533
_cell_length_b 16.5344
_cell_length_c 5.6387
_cell_angle_alpha 90
_cell_angle_beta 90.000
_cell_angle_gamma 90
_cell_volume 732.183
_exptl_crystal_density_diffrn      3.771
_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
O1   0.23392   0.00000   0.96709   1.00000 ?
O2   0.23431   0.00000   0.53205   1.00000 ?
O3   0.25505   0.16164   0.01549   1.00000 ?
O4   0.25514   0.16167   0.48460   1.00000 ?
O5   0.00178   0.08902   0.24928   1.00000 ?
O6   0.02145   0.24994   0.25009   1.00000 ?
O7   0.52691   0.09880   0.25027   1.00000 ?
Si1   0.13403   0.16646   0.24996   0.99600 ?
Al1   0.13403   0.16646   0.24996   0.00400 ?
Mg1   0.38912   0.00000   0.24954   0.04700 ?
Zn1   0.38912   0.00000   0.24954   0.61300 ?
Li1   0.38912   0.00000   0.24954   0.12800 ?
Al2   0.38912   0.00000   0.24954   0.04300 ?
Al3   0.50000   0.17363   0.00000   0.99400 ?
Fe3   0.50000   0.17363   0.00000   0.00600 ?
Al4   0.50000   0.17368   0.50000   0.99400 ?
Fe4   0.50000   0.17368   0.50000   0.00600 ?
Al5   0.26330   0.41038   0.25012   0.98600 ?
Fe5   0.26330   0.41038   0.25012   0.01400 ?
Al6   0.00000   0.00000   0.00000   0.46300 ?
Al7   0.00000   0.00000   0.50000   0.46300 ?
Fe8   0.50000   0.00000   0.00000   0.04800   0.01407
Fe9   0.50000   0.00000   0.50000   0.04800   0.01286
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 0.00937 0.00692 0.01192 0.00000 0.00337 0.00000
O2 0.00937 0.00692 0.01144 0.00000 0.00000 0.00000
O3 0.00656 0.00831 0.00741 -0.00132 0.00135 0.00000
O4 0.00687 0.00831 0.00821 0.00066 0.00090 0.00000
O5 0.00531 0.00831 0.01562 0.00000 0.00112 -0.00094
O6 0.00562 0.00692 0.00789 0.00000 0.00135 0.00094
O7 0.00531 0.00831 0.00805 0.00000 0.00157 0.00000
Si1 0.00469 0.00692 0.00709 0.00000 0.00090 0.00000
Al1 0.00469 0.00692 0.00709 0.00000 0.00090 0.00000
Mg1 0.01031 0.00692 0.02191 0.00000 0.00090 0.00000
Zn1 0.01031 0.00692 0.02191 0.00000 0.00090 0.00000
Li1 0.01031 0.00692 0.02191 0.00000 0.00090 0.00000
Al2 0.01031 0.00692 0.02191 0.00000 0.00090 0.00000
Al3 0.00312 0.00554 0.00419 0.00000 0.00090 0.00000
Fe3 0.00312 0.00554 0.00419 0.00000 0.00090 0.00000
Al4 0.00375 0.00692 0.00532 0.00000 0.00090 0.00000
Fe4 0.00375 0.00692 0.00532 0.00000 0.00090 0.00000
Al5 0.00562 0.00554 0.00677 0.00000 0.00112 0.00000
Fe5 0.00562 0.00554 0.00677 0.00000 0.00112 0.00000
Al6 0.00312 0.00692 0.00789 0.00000 0.00292 0.00000
Al7 0.00250 0.00554 0.00532 0.00000 -0.00022 0.00000