#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012860.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_9012860
loop_
_publ_author_name
'Khalilov, A. D.'
'Dzhafarov, N. K.'
'Mamedov, K. S.'
_publ_section_title
;
 Crystal structure of naujakasite - Na6{Fe[(Si,Al)8Si4O26]}
;
_journal_name_full               'Doklady Akademii Nauk Azerbaidzhanskoi SSR'
_journal_page_first              35
_journal_page_last               40
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al4 Fe Na6 O26 Si8'
_chemical_name_mineral           Naujakasite
_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                 113.44
_cell_angle_gamma                90
_cell_length_a                   15.086
_cell_length_b                   7.993
_cell_length_c                   10.515
_cell_volume                     1163.291
_[local]_cod_data_source_file    12971.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Na6 Fe Al4 Si8 O26'
loop_
_symmetry_equiv_pos_as_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
Na1 0.22990 0.50000 0.44030 1.00000 0.01849
Na2 0.34290 0.50000 0.11240 1.00000 0.02090
Na3 0.46440 0.00000 0.16480 1.00000 0.02166
Fe 0.00000 0.00000 0.00000 1.00000 0.01203
Al1 0.05840 0.19550 0.34110 0.50000 0.00709
Si1 0.05840 0.19550 0.34110 0.50000 0.00709
Al2 0.35360 0.19900 0.34950 0.50000 0.01077
Si2 0.35360 0.19900 0.34950 0.50000 0.01077
Si 0.15060 0.30800 0.13130 1.00000 0.00823
O1 0.03620 0.00000 0.27620 1.00000 0.01950
O2 0.10660 0.31160 0.25070 1.00000 0.01456
O3 0.13890 0.19680 0.50670 1.00000 0.01963
O4 0.10140 0.17920 0.01050 1.00000 0.01646
O5 0.13150 0.50000 0.06480 1.00000 0.00899
O6 0.26770 0.29270 0.21150 1.00000 0.01330
O7 0.32380 0.00000 0.36590 1.00000 0.02115
O8 0.45640 0.20750 0.32260 1.00000 0.01469