#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011123.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_1011123
_chemical_name_systematic          'Caesium tecto-alumodisilicate'
_chemical_name_mineral             'Pollucite'
_chemical_compound_source          'from Elba, Italy'
_chemical_formula_structural       'Cs (Al Si2 O6)'
_chemical_formula_sum              'Al Cs O6 Si2'
_publ_section_title
;
Die Struktur des Pollucits (Cs Al Si2 O6)*(H2 O)X
;
_space_group_IT_number           142
_symmetry_space_group_name_Hall  'I 4bw 2aw -1bw'
_symmetry_space_group_name_H-M   'I 41/a c d :1'
_[local]_cod_cif_authors_sg_H-M  'I 41/a c d S'
loop_
_publ_author_name                  'Naray-Szabo, S'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    99
_journal_year                      1938
_journal_page_first                277
_journal_page_last                 282
_cell_length_a                     13.74
_cell_length_b                     13.74
_cell_length_c                     13.74
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2593.9
_cell_formula_units_Z              16
_exptl_crystal_density_meas        2.95
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  'x,1/2+y,1/4-z'
  'x,1/2-y,3/4-z'
  '-x,-y,z'
  '-x,y,1/2+z'
  '-x,1/2-y,1/4-z'
  '-x,1/2+y,3/4-z'
  '-y,x,-z'
  'y,x,1/2-z'
  '1/2-y,x,3/4+z'
  '1/2+y,x,1/4+z'
  'y,-x,-z'
  '-y,-x,1/2-z'
  '1/2+y,-x,3/4+z'
  '1/2-y,-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2+x,y,3/4-z'
  '1/2+x,-y,1/4-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2-x,-y,3/4-z'
  '1/2-x,y,1/4-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2+x,-z'
  '-y,1/2+x,1/4+z'
  'y,1/2+x,3/4+z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2-x,-z'
  'y,1/2-x,1/4+z'
  '-y,1/2-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cs1+   1.000
  Si4+   4.000
  Al3+   3.000
  O2-   -2.000
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
  Cs1   Cs1+  16 f 0.125 0.125 0.25 1.  0 d
  Si1   Si4+  32 g 0.125 0.411 0.212 1.  0 d
  Al1   Al3+  16 f 0.339 0.339 0.25 1.  0 d
  O1    O2-   32 g 0.119 0.111 0.653 1.  0 d
  O2    O2-   32 g 0.131 0.472 0.736 1.  0 d
  O3    O2-   32 g 0.278 0.139 0.756 1.  0 d
_cod_database_code 1011123