#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000110.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_9000110
_chemical_name 'Narsarsukite'
loop_
_publ_author_name
'Peacor D R'
'Buerger M J'
_journal_name_full "American Mineralogist"
_journal_volume 47
_journal_year 1962
_journal_page_first 539
_journal_page_last 556
_publ_section_title
;
 The determination and refinement of the structure of narsarsukite, Na2TiOSi4O10
;
_chemical_formula_sum 'Ti Na2 Si4 O11'
_cell_length_a 10.7269
_cell_length_b 10.7269
_cell_length_c 7.9476
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 914.502
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,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'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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_Uiso_or_equiv
Ti   0.00000   0.00000   0.23960   0.00165
Na   0.18580   0.13780   0.50000   0.01748
Si   0.01180   0.30850   0.19240  -0.00114
O1   0.00000   0.00000   0.00000   0.00063
O2   0.00000   0.00000   0.50000   0.00253
O3  -0.04000   0.30240   0.00000   0.00215
O4   0.04880   0.17540   0.26840   0.00469
O5   0.13240   0.40230   0.19380   0.00405