#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013744.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_9013744
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: 3-3/1 Locality: West Sidney, 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        'West Sidney, Maine, USA'
_chemical_formula_sum            'Al4.467 Fe0.882 Li0.02 Mg0.213 O12 Si1.92'
_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                 90.014
_cell_angle_gamma                90
_cell_length_a                   7.8744
_cell_length_b                   16.6253
_cell_length_c                   5.6625
_cell_volume                     741.302
_cell_formula_units_Z            4
_database_code_amcsd             0005306
_exptl_crystal_density_diffrn    3.773
_cod_original_formula_sum        'O12 Si1.92 Al4.467 Fe.882 Li.02 Mg.213'
_cod_database_code               9013744
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 0.23469 0.00000 0.96491 1.00000 ?
O2 0.23498 0.00000 0.53482 1.00000 ?
O3 0.25508 0.16121 0.01526 1.00000 ?
O4 0.25501 0.16121 0.48439 1.00000 ?
O5 0.00128 0.08881 0.24949 1.00000 ?
O6 0.02144 0.24929 0.24993 1.00000 ?
O7 0.52681 0.10019 0.24997 1.00000 ?
Si1 0.13411 0.16606 0.24981 0.96000 ?
Al1 0.13411 0.16606 0.24981 0.04000 ?
Fe1 0.39110 0.00000 0.24963 0.80000 ?
Al2 0.39110 0.00000 0.24963 0.02000 ?
Li1 0.39110 0.00000 0.24963 0.02000 ?
Mg1 0.39110 0.00000 0.24963 0.12000 ?
Al3 0.50000 0.17529 0.00000 0.96000 ?
Fe3 0.50000 0.17529 0.00000 0.01500 ?
Mg3 0.50000 0.17529 0.00000 0.02500 ?
Al4 0.50000 0.17527 0.50000 0.96000 ?
Fe4 0.50000 0.17527 0.50000 0.01500 ?
Mg4 0.50000 0.17527 0.50000 0.02500 ?
Al5 0.26276 0.41056 0.25023 0.97500 ?
Mg5 0.26276 0.41056 0.25023 0.01000 ?
Fe5 0.26276 0.41056 0.25023 0.01500 ?
Al6 0.00000 0.00000 0.00000 0.51500 ?
Mg6 0.00000 0.00000 0.00000 0.02500 ?
Al7 0.00000 0.00000 0.50000 0.48000 ?
Mg7 0.00000 0.00000 0.50000 0.02000 ?
Fe8 0.50000 0.00000 0.00000 0.02500 0.01221
Fe9 0.50000 0.00000 0.50000 0.02000 0.01532
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005306
