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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/28/9012861.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_9012861
loop_
_publ_author_name
'Basso, R.'
'dal Negro, A.'
'Giusta, A. D.'
'Ungaretti, L.'
_publ_section_title
;
 The crystal structure of naujakasite, a double sheet silicate
;
_journal_name_full               'Gronlands Geologiske Undersogelse: Bulletin'
_journal_page_first              11
_journal_page_last               24
_journal_volume                  116
_journal_year                    1975
_chemical_compound_source
'Tuperssuatsiait Bay, Illimaussaq complex, Narsaq, Greenland'
_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                 113.67
_cell_angle_gamma                90
_cell_length_a                   15.025
_cell_length_b                   7.991
_cell_length_c                   10.468
_cell_formula_units_Z            2
_cell_volume                     1151.104
_database_code_amcsd             0012670
_exptl_crystal_density_diffrn    2.719
_cod_original_formula_sum        'Na6 Fe Al4 Si8 O26'
_cod_database_code               9012861
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
Na1 0.22990 0.50000 0.44030 1.00000 0.02026
Na2 0.34300 0.50000 0.11260 1.00000 0.02343
Na3 0.46430 0.00000 0.16500 1.00000 0.02381
Fe 0.00000 0.00000 0.00000 1.00000 0.01279
AlT2 0.05840 0.19530 0.34150 0.50000 0.01026
SiT2 0.05840 0.19530 0.34150 0.50000 0.01026
AlT3 0.14630 0.30140 0.65070 0.50000 0.00925
SiT3 0.14630 0.30140 0.65070 0.50000 0.00925
SiT1 0.15050 0.30810 0.13150 1.00000 0.00823
O1 0.10100 0.17890 0.01020 1.00000 0.02077
O2 0.26810 0.29370 0.21030 1.00000 0.01545
O3 0.10700 0.31200 0.25090 1.00000 0.01545
O4 0.13180 0.50000 0.06470 1.00000 0.01381
O5 0.13930 0.19730 0.50710 1.00000 0.02178
O6 0.03600 0.00000 0.27590 1.00000 0.02305
O7 0.04450 0.29320 0.67710 1.00000 0.01596
O8 0.17690 0.50000 0.63380 1.00000 0.02026
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012670
