#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013752.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013752
loop_
_publ_author_name
'Hawthorne, F. C.'
'Ungaretti, L.'
'Oberti, R.'
'Caucia, F.'
'Callegari, A.'
_publ_section_title
;The crystal chemistry of staurolite. I. Crystal structure and site
 populations Sample Code: 6-3/1 Locality: East Winthrop, Maine, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              551
_journal_page_last               582
_journal_volume                  31
_journal_year                    1993
_chemical_compound_source        'East Winthrop, Maine, USA'
_chemical_formula_sum            'Al4.492 Fe0.71 Li0.255 Mg0.082 O12 Si1.946'
_chemical_name_mineral           Staurolite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.025
_cell_angle_gamma                90
_cell_length_a                   7.8707
_cell_length_b                   16.5875
_cell_length_c                   5.6551
_cell_volume                     738.303
_cell_formula_units_Z            4
_database_code_amcsd             0005314
_exptl_crystal_density_diffrn    3.700
_cod_original_formula_sum        'O12 Si1.946 Al4.492 Fe.71 Li.255 Mg.082'
_cod_database_code               9013752
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
O1 0.23394 0.00000 0.96563 1.00000
O2 0.23425 0.00000 0.53359 1.00000
O3 0.25492 0.16147 0.01551 1.00000
O4 0.25456 0.16145 0.48424 1.00000
O5 0.00197 0.08862 0.24930 1.00000
O6 0.02112 0.24929 0.24984 1.00000
O7 0.52715 0.10021 0.25003 1.00000
Si1 0.13425 0.16612 0.24987 0.97300
Al1 0.13425 0.16612 0.24987 0.02700
Fe1 0.39265 0.00000 0.24961 0.63000
Al2 0.39265 0.00000 0.24961 0.06000
Li1 0.39265 0.00000 0.24961 0.25500
Mg1 0.39265 0.00000 0.24961 0.05500
Al3 0.50000 0.17464 0.00000 0.97500
Mg3 0.50000 0.17464 0.00000 0.01000
Fe3 0.50000 0.17464 0.00000 0.01500
Al4 0.50000 0.17464 0.50000 0.97500
Mg4 0.50000 0.17464 0.50000 0.01000
Fe4 0.50000 0.17464 0.50000 0.01500
Al5 0.26228 0.41070 0.25017 0.98000
Fe5 0.26228 0.41070 0.25017 0.02000
Al6 0.00000 0.00000 0.00000 0.48500
Mg6 0.00000 0.00000 0.00000 0.01000
Fe6 0.00000 0.00000 0.00000 0.01000
Al7 0.00000 0.00000 0.50000 0.45000
Fe7 0.00000 0.00000 0.50000 0.01000
Mg7 0.00000 0.00000 0.50000 0.00500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005314
