#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/01/78/9017830.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_9017830
loop_
_publ_author_name
'Sokolova, E. V.'
'Rybakov, V. B.'
'Pautov, L. A.'
_publ_section_title
;
 The crystal structure of a new natural tetramethylammonium aluminosilicate
 [N(CH3)4][Si2(Si0.5Al0.5)O6]2
 Note: H atoms not located
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              267
_journal_page_last               269
_journal_volume                  36
_journal_year                    1991
_chemical_compound_source
'Northern Ural Mountains, Mankhambo region, Russia'
_chemical_formula_sum            'C4 Al N O12 Si5'
_chemical_name_mineral           Tsaregorodtsevite
_space_group_IT_number           23
_space_group_name_Hall           'I 2 2'
_space_group_name_H-M_alt        'I 2 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.984
_cell_length_b                   8.937
_cell_length_c                   8.927
_cell_formula_units_Z            2
_cell_volume                     716.749
_database_code_amcsd             0020490
_exptl_crystal_density_diffrn    1.953
_cod_data_source_file            inputs/fixed/downloads/20/20303.cif
_cod_data_source_block           20303
_cod_original_formula_sum        'N C4 Si5 Al O12'
_cod_database_code               9017830
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+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
N 0.00000 0.00000 0.00000 1.00000 0.02280
C1 0.38400 0.37300 0.50100 0.33333 0.04813
C2 0.38100 0.50700 0.37400 0.33333 0.06079
C3 0.00100 0.11700 0.12100 0.33333 0.06206
Si1 0.00000 0.25110 0.50000 1.00000 0.01368
Si2 0.50000 0.00000 0.24910 1.00000 0.01330
Si3 0.25020 0.00000 0.50000 0.50000 0.01381
Al3 0.25020 0.00000 0.50000 0.50000 0.01381
O1 -0.14630 0.14990 0.49700 1.00000 0.04369
O2 0.14560 0.49900 0.14910 1.00000 0.04813
O3 0.00700 0.35400 0.35310 1.00000 0.04939
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020490
