#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002532.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_4002532
loop_
_publ_author_name
'Park, S.-H.'
'Parise, J.B.'
'Gies, H.'
'Toby, B.H.'
_publ_section_title
;
 Characterization of a new microporous lithozincosilicate with ANA
 topology
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3187
_journal_page_last               3196
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Cs12.36 H6.48 Li15.2 O99.24 Si37.08 Zn7.92'
_chemical_name_systematic
'Cs12.36 Li13 (Li2.2 Zn7.92 Si37.08 O96) (H2 O)3.24'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.6526
_cell_length_b                   13.6526
_cell_length_c                   13.6526
_cell_volume                     2544.756
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Park_CMATEX_2002_676.cif
_cod_data_source_block           H6.48Cs12.36Li15.2O99.24Si37.08Zn7.92
_cod_original_formula_sum        'H6.48 Cs12.36 Li15.2 O99.24 Si37.08 Zn7.92'
_cod_database_code               4002532
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x+1/2,-y+1/2,-z
y+3/4,x+1/4,-z+1/4
-x,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
z,x,y
-x+1/4,z+3/4,y+1/4
-z+1/2,-x,y+1/2
x+1/4,-z+1/4,y+3/4
z+1/2,-x+1/2,-y
x+3/4,z+1/4,-y+1/4
-z,x+1/2,-y+1/2
-x+3/4,-z+3/4,-y+3/4
y,z,x
y+1/2,-z+1/2,-x
z+3/4,y+1/4,-x+1/4
-y,z+1/2,-x+1/2
-z+3/4,-y+3/4,-x+3/4
-y+1/2,-z,x+1/2
z+1/4,-y+1/4,x+3/4
-z+1/4,y+3/4,x+1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Si1 Si+4 0.337 0.089 0.382 0.67 0.0
Si2 Si+4 0.125 0.169 0.419 0.95 0.0
Li3 Li+1 -0.005 0.004 0.243 0.4 0.0
Zn1 Zn+2 0.337 0.089 0.382 0.33 0.0
O5 O-2 0.375 0.375 0.375 0.42 0.0
O6 O-2 0.875 0.875 0.875 0.39 0.0
Cs1 Cs+1 0.129 0.129 0.129 0.95 0.0
O2 O-2 0.887 0.645 0.771 1 0.0
O4 O-2 0.711 0.586 0.863 1 0.0
O1 O-2 0.404 0.123 0.283 1 0.0
Li2 Li+1 0.269 0.269 0.269 0.4 0.0
Si3 Si+4 0.625 0.654 0.904 0.8 0.0
Cs2 Cs+1 0.875 0.875 0.875 0.61 0.0
Li1 Li+1 0.625 0.654 0.904 0.2 0.0
Cs3 Cs+1 0.375 0.375 0.375 0.58 0.0
O3 O-2 0.218 0.12 0.364 1 0.0
