#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/41/9004169.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_9004169
loop_
_publ_author_name
'Hawthorne, F. C.'
_publ_section_title
;
 The crystal structure of jarlite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              553
_journal_page_last               560
_journal_volume                  21
_journal_year                    1983
_chemical_formula_sum            'Al6 F32 Mg Na1.99 O2 Sr6.01'
_chemical_name_mineral           Jarlite
_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                 101.86
_cell_angle_gamma                90
_cell_length_a                   15.942
_cell_length_b                   10.821
_cell_length_c                   7.241
_cell_formula_units_Z            2
_cell_volume                     1222.468
_database_code_amcsd             0005194
_exptl_crystal_density_diffrn    3.799
_cod_original_formula_sum        'Sr6.01 Na1.99 Al6 Mg O2 F32'
_cod_database_code               9004169
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
SrX1 0.00000 0.00000 0.00000 0.91000
NaX1 0.00000 0.00000 0.00000 0.09000
SrX2 0.26010 0.00000 0.12320 0.81000
NaX2 0.26010 0.00000 0.12320 0.19000
SrX3 0.35030 0.19640 0.69660 0.87000
NaX3 0.35030 0.19640 0.69660 0.13000
Al1 0.16400 0.00000 0.54120 1.00000
Al2 0.10730 0.24580 0.79820 1.00000
Na 0.00000 0.50000 0.00000 1.00000
Mg 0.00000 0.50000 0.50000 1.00000
O 0.42900 0.00000 0.70780 1.00000
F1 0.24350 0.00000 0.75620 1.00000
F2 0.09440 0.00000 0.31740 1.00000
F3 0.11610 0.37050 0.96880 1.00000
F4 0.22760 0.11680 0.45390 1.00000
F5 0.21810 0.25940 0.80610 1.00000
F6 0.00340 0.22800 0.21000 1.00000
F7 0.08810 0.36270 0.61210 1.00000
F8 0.09840 0.12160 0.61950 1.00000
F9 0.12740 0.13500 0.99180 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005194
