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 = 8.74 GPa
;
_database_code_amcsd 0002889
_chemical_formula_sum 'Si1.88 Al4.87 Fe1.72 Li.06 Zn.02 Mn.02 Mg.21 O12'
_cell_length_a 7.779
_cell_length_b 16.416
_cell_length_c 5.586
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 713.333
_exptl_crystal_density_diffrn      4.471
_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   0.13360   0.16650   0.25000   0.94000   0.00690
AlT1   0.13360   0.16650   0.25000   0.06000   0.00690
FeT2   0.39350   0.00000   0.25000   0.84000   0.01800
LiT2   0.39350   0.00000   0.25000   0.03000   0.01800
ZnT2   0.39350   0.00000   0.25000   0.01000   0.01800
MnT2   0.39350   0.00000   0.25000   0.01000   0.01800
AlM1   0.50000   0.17520   0.00000   0.97000   0.00900
FeM1   0.50000   0.17520   0.00000   0.01000   0.00900
MgM1   0.50000   0.17520   0.00000   0.02000   0.00900
AlM2   0.26370   0.40980   0.25000   0.97000   0.00890
FeM2   0.26370   0.40980   0.25000   0.01000   0.00890
MgM2   0.26370   0.40980   0.25000   0.02000   0.00890
AlM3   0.00000   0.00000   0.00000   0.87000   0.00600
MgM3   0.00000   0.00000   0.00000   0.13000   0.00600
FeM4   0.50000   0.00000   0.00000   0.84000   0.00100
ZnM4   0.50000   0.00000   0.00000   0.01000   0.00100
LiM4   0.50000   0.00000   0.00000   0.03000   0.00100
MnM4   0.50000   0.00000   0.00000   0.01000   0.00100
O1   0.23800   0.00000   0.97000   1.00000   0.00900
O2   0.25460   0.16140   0.01370   1.00000   0.00700
O3   0.00190   0.08700   0.25000   1.00000   0.00300
O4   0.01700   0.24720   0.25000   1.00000   0.00900
O5   0.52370   0.09800   0.25000   1.00000   0.00700