data_global
_chemical_name_mineral 'Staurolite'
loop_
_publ_author_name
'Comodi P'
'Montagnoli M'
'Zanazzi P F'
'Ballaran T B'
_journal_name_full 'American Mineralogist'
_journal_volume 87 
_journal_year 2002
_journal_page_first 1164
_journal_page_last 1171
_publ_section_title
;
 Isothermal compression of staurolite: A single-crystal study
 Sample: P = 5.43 GPa
;
_database_code_amcsd 0002887
_chemical_formula_sum 'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cell_length_a 7.814
_cell_length_b 16.480
_cell_length_c 5.617
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 723.328
_exptl_crystal_density_diffrn      4.409
_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
SiT1   0.13420   0.16670   0.25000   0.94000   0.00600
AlT1   0.13420   0.16670   0.25000   0.06000   0.00600
FeT2   0.39260   0.00000   0.25000   0.84000   0.01600
LiT2   0.39260   0.00000   0.25000   0.03000   0.01600
ZnT2   0.39260   0.00000   0.25000   0.01000   0.01600
MnT2   0.39260   0.00000   0.25000   0.01000   0.01600
AlM1   0.50000   0.17570   0.00000   0.97000   0.00800
FeM1   0.50000   0.17570   0.00000   0.01000   0.00800
MgM1   0.50000   0.17570   0.00000   0.02000   0.00800
AlM2   0.26310   0.41030   0.25000   0.97000   0.00900
FeM2   0.26310   0.41030   0.25000   0.01000   0.00900
MgM2   0.26310   0.41030   0.25000   0.02000   0.00900
AlM3   0.00000   0.00000   0.00000   0.87000   0.00900
MgM3   0.00000   0.00000   0.00000   0.13000   0.00900
FeM4   0.50000   0.00000   0.00000   0.84000   0.06000
ZnM4   0.50000   0.00000   0.00000   0.01000   0.06000
LiM4   0.50000   0.00000   0.00000   0.03000   0.06000
MnM4   0.50000   0.00000   0.00000   0.01000   0.06000
O1   0.23500   0.00000   0.96800   1.00000   0.00900
O2   0.25580   0.16300   0.01400   1.00000   0.00300
O3   0.00100   0.08700   0.25000   1.00000   0.00300
O4   0.01800   0.24700   0.25000   1.00000   0.00700
O5   0.52700   0.10000   0.25000   1.00000   0.00600