#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310641.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310641
loop_
_publ_author_name
'Naray-Szabo, I.'
'Sasvari, K.'
_publ_section_title
;
 On the structure of staurolite, H Fe2 Al9 Si4 O24
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              862
_journal_page_last               865
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Al9 Fe2 H O24 Si4'
_chemical_name_systematic        'H Fe2 Al9 Si4 O24'
_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                 90.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.82
_cell_length_b                   16.51999
_cell_length_c                   5.63
_cell_volume                     727.318
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Naray-Szabo_ACCRA9_1958_277.cif
_cod_data_source_block           H1Al9Fe2O24Si4
_cod_original_cell_volume        727.3179
_cod_original_formula_sum        'H1 Al9 Fe2 O24 Si4'
_cod_database_code               2310641
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O6 O-2 0 0.25 0.23 1 0.0
O7 O-2 0 0.394 0.23 1 0.0
O1 O-2 0.222 0 0.98 1 0.0
Al2 Al+3 0 0.322 0.5 1 0.0
Al3 Al+3 0.25 0.408 0.25 1 0.0
O4 O-2 0.763 0.158 0.52 1 0.0
Al1 Al+3 0 0.322 0 1 0.0
H1 H+1 0 0 0.5 1 0.0
Al4 Al+3 0 0 0 1 0.0
O2 O-2 0.222 0 0.52 1 0.0
Si1 Si+4 0.125 0.167 0.27 1 0.0
O5 O-2 0 0.094 0.27 1 0.0
Fe1 Fe+2 0.389 0 0.25 1 0.0
O3 O-2 0.237 0.158 0.02 1 0.0
