#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011345.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_1011345
_chemical_name_systematic
;
Disodium zirconium catena-trisilicate dihydrate
;
_chemical_name_mineral             'Catapleite, averaged structure'
_chemical_compound_source          'from Khibiny alkaline massif, Kola Peni'
_chemical_formula_structural       'Na2 Zr (Si3 O9) (H2 O)2'
_chemical_formula_sum              'H4 Na2 O11 Si3 Zr'
_publ_section_title
;
Die Struktur des Katapleits (Na2 Zr Si3 O9 * 2(H2 O))
;
_publ_author_name                  'Brunovskii, B'
_journal_name_full                 'Trav. Inst. Lomonossoff'
_journal_coden_ASTM                TRILO9
_journal_volume                    6
_journal_year                      1935
_journal_page_first                34
_journal_page_last                 44
_cell_length_a                     7.39(5)
_cell_length_b                     7.39(5)
_cell_length_c                     10.05(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       475.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zr4+   4.000
  Si4+   4.000
  Na1+   1.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Zr1   Zr4+   2 a 0. 0. 0. 1.  0 d
  Si1   Si4+   6 h 0.2 0.8 0.25 1.  0 d
  Na1   Na1+   4 f 0.3333 0.6667 0.08 1.  0 d
  O1    O2-    6 h 0.47 0.53 0.25 1.  0 d
  O2    O2-   12 k 0.135 0.865 0.125 1.  0 d
  O3    O2-    6 g 0.5 0. 0. 0.667  2 d
  H1    H1+   12 i -1. -1. -1. 0.667  0 dum