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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009554.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009554
_chemical_name 'Tuliokite'
loop_
_publ_author_name
'Yamnova N A'
'Pushcharovskii D Yu'
'Voloshin A V'
_journal_name_full "Doklady Akademii Nauk SSSR"
_journal_volume 310
_journal_year 1990
_journal_page_first 99
_journal_page_last 102
_publ_section_title
;
 Crystal structure of the tuliokite -
 a new natural Na, Ba, Th carbonate
;
_chemical_formula_sum 'Ba Na6 Th C6 O24 H12'
_cell_length_a 14.175
_cell_length_b 14.175
_cell_length_c 8.605
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1497.365
_symmetry_space_group_name_H-M 'R -3'
loop_
_symmetry_equiv_pos_as_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_Uiso_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