#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013750.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_9013750
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: 117189/21 Locality: Stratford, North Carolina, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              551
_journal_page_last               582
_journal_volume                  31
_journal_year                    1993
_chemical_compound_source        'Stratford, North Carolina, USA'
_chemical_formula_sum
'Al4.415 Fe0.583 Li0.015 Mg0.195 O12 Si1.92 Zn0.35'
_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                 90.271
_cell_angle_gamma                90
_cell_length_a                   7.8683
_cell_length_b                   16.6094
_cell_length_c                   5.6593
_cell_formula_units_Z            4
_cell_volume                     739.593
_database_code_amcsd             0005312
_exptl_crystal_density_diffrn    3.820
_cod_original_formula_sum
'O12 Si1.92 Al4.415 Fe.583 Zn.35 Li.015 Mg.195'
_cod_database_code               9013750
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 0.23327 0.00000 0.96243 1.00000 ?
O2 0.23662 0.00000 0.53121 1.00000 ?
O3 0.25585 0.16156 0.01517 1.00000 ?
O4 0.25425 0.16124 0.48360 1.00000 ?
O5 0.00123 0.08898 0.24343 1.00000 ?
O6 0.02151 0.24942 0.24923 1.00000 ?
O7 0.52654 0.09964 0.24949 1.00000 ?
Si1 0.13408 0.16612 0.24795 0.96000 ?
Al1 0.13408 0.16612 0.24795 0.04000 ?
Fe1 0.38959 0.00000 0.24539 0.52000 ?
Zn1 0.38959 0.00000 0.24539 0.35000 ?
Li1 0.38959 0.00000 0.24539 0.01500 ?
Mg1 0.38959 0.00000 0.24539 0.07500 ?
Al3 0.50000 0.17497 0.00000 0.96000 ?
Mg3 0.50000 0.17497 0.00000 0.03000 ?
Fe3 0.50000 0.17497 0.00000 0.01000 ?
Al4 0.50000 0.17498 0.50000 0.96000 ?
Mg4 0.50000 0.17498 0.50000 0.03000 ?
Fe4 0.50000 0.17498 0.50000 0.01000 ?
Al5 0.26307 0.41056 0.25239 0.97000 ?
Mg5 0.26307 0.41056 0.25239 0.02000 ?
Fe5 0.26307 0.41056 0.25239 0.01000 ?
Al6 0.00000 0.00000 0.00000 0.66000 ?
Mg6 0.00000 0.00000 0.00000 0.02500 ?
Al7 0.00000 0.00000 0.50000 0.29000 ?
Mg7 0.00000 0.00000 0.50000 0.01500 ?
Fe8 0.50000 0.00000 0.00000 0.04000 0.01245
Fe9 0.50000 0.00000 0.50000 0.00500 0.00380
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005312
