#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013751.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_9013751
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: 117189/1 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
'Al8.83 Fe1.165 H1.56 Li0.03 Mg0.39 O24 Si3.84 Zn0.7'
_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                 90.452
_cell_angle_gamma                90
_cell_length_a                   7.8691
_cell_length_b                   16.6064
_cell_length_c                   5.6595
_cell_formula_units_Z            4
_cell_volume                     739.546
_database_code_amcsd             0005313
_exptl_crystal_density_diffrn    3.827
_cod_original_formula_sum
'O24 Si3.84 Al8.83 Fe1.165 Zn.7 Li.03 Mg.39 H1.56'
_cod_database_code               9013751
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 0.23237 0.00000 0.96061 1.00000 ?
O2 0.23752 0.00000 0.52859 1.00000 ?
O3 0.25646 0.16157 0.01461 1.00000 ?
O4 0.25364 0.16104 0.48346 1.00000 ?
O5 0.00159 0.08911 0.23940 1.00000 ?
O6 0.02167 0.24947 0.24894 1.00000 ?
O7 0.52661 0.09964 0.24933 1.00000 ?
Si1 0.13417 0.16614 0.24653 0.96000 ?
Al1 0.13417 0.16614 0.24653 0.04000 ?
Fe1 0.38969 0.00000 0.24235 0.52000 ?
Zn1 0.38969 0.00000 0.24235 0.35000 ?
Li1 0.38969 0.00000 0.24235 0.01500 ?
Mg1 0.38969 0.00000 0.24235 0.07500 ?
Al3 0.50000 0.17501 0.00000 0.96000 ?
Mg3 0.50000 0.17501 0.00000 0.03000 ?
Fe3 0.50000 0.17501 0.00000 0.01000 ?
Al4 0.50000 0.17490 0.50000 0.96000 ?
Mg4 0.50000 0.17490 0.50000 0.03000 ?
Fe4 0.50000 0.17490 0.50000 0.01000 ?
Al5 0.26313 0.41050 0.25401 0.97000 ?
Mg5 0.26313 0.41050 0.25401 0.02000 ?
Fe5 0.26313 0.41050 0.25401 0.01000 ?
Al6 0.00000 0.00000 0.00000 0.79000 ?
Mg6 0.00000 0.00000 0.00000 0.03300 ?
Al7 0.00000 0.00000 0.50000 0.16000 ?
Mg7 0.00000 0.00000 0.50000 0.00700 ?
Fe8 0.50000 0.00000 0.00000 0.04500 0.00774
H1 0.12500 0.00000 0.44500 0.78000 0.02206
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005313
