#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004171.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_9004171
loop_
_publ_author_name
'Hawthorne, F. C.'
_publ_section_title
;
 The crystal structure of stenonite and the classification of the
 aluminofluoride minerals
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              245
_journal_page_last               251
_journal_volume                  22
_journal_year                    1984
_chemical_formula_sum            'C Al F5 O3 Sr2'
_chemical_name_mineral           Stenonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.72
_cell_angle_gamma                90
_cell_length_a                   5.450
_cell_length_b                   8.704
_cell_length_c                   13.150
_cell_formula_units_Z            4
_cell_volume                     616.584
_database_code_amcsd             0005196
_exptl_crystal_density_diffrn    3.848
_cod_original_cell_volume        616.583
_cod_original_formula_sum        'Sr2 Al C F5 O3'
_cod_database_code               9004171
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sr1 0.21630 0.35970 0.91040
Sr2 0.20840 -0.11080 0.90140
Al 0.86660 0.12710 0.66890
C 0.31360 0.87740 0.13800
F1 0.19980 0.22450 0.09050
F2 0.17540 0.50470 0.08730
F3 0.56340 0.22800 0.23490
F4 0.55240 0.52650 0.22640
F5 0.58270 0.37070 0.06980
O1 0.49790 0.87730 0.08770
O2 0.09190 0.87590 0.09020
O3 0.35760 0.86950 0.23560
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005196
