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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009554.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_9009554
loop_
_publ_author_name
'Yamnova, N. A.'
'Pushcharovsky D Yu'
'Voloshin, A. V.'
_publ_section_title
;
 Crystal structure of the tuliokite -
 a new natural Na, Ba, Th carbonate
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              99
_journal_page_last               102
_journal_volume                  310
_journal_year                    1990
_chemical_formula_sum            'C6 H12 Ba Na6 O24 Th'
_chemical_name_mineral           Tuliokite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   14.175
_cell_length_b                   14.175
_cell_length_c                   8.605
_cell_volume                     1497.365
_database_code_amcsd             0012481
_exptl_crystal_density_diffrn    3.245
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ba Na6 Th C6 O24 H12'
_cod_database_code               9009554
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.00000 0.00000 0.50000 0.03977
Na 0.09410 0.41120 0.87480 0.04331
Th 0.00000 0.00000 0.00000 0.02622
C 0.14890 0.65890 0.85600 0.03420
O1 0.20280 0.14080 0.07980 0.03800
O2 0.07370 0.13570 0.22970 0.03546
O3 0.27080 0.02450 0.73790 0.03800
Wat4 0.08930 0.57100 0.21270 0.04179
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012481