#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104390.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_8104390
loop_
_publ_author_name
'Taylor, W.H.'
'Meek, C.A.'
'Jackson, W.W.'
_publ_section_title
;
 The structures of fibrous zeolites
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              373
_journal_page_last               398
_journal_volume                  84
_journal_year                    1933
_chemical_formula_sum            'Al5 Ca2 Na O14 Si5'
_chemical_name_systematic        'Na Ca2 (Al5 Si5 O20) (H2 O)6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.03
_cell_length_b                   13.03
_cell_length_c                   6.61
_cell_volume                     1122.252
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Taylor_ZEKGAX_1933_1646.cif
_cod_data_source_block           Al5Ca2Na1O14Si5
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Al5 Ca2 Na1 O14 Si5'
_cod_database_code               8104390
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
O4 O-2 0 0.139 0.5 0.5 0.0
O5 O-2 0.363 0 0.25 0.5 0.0
O6 O-2 0.167 0.194 0.75 0.5 0.0
O9 O-2 0.375 0.194 0.375 0.5 0.0
Al3 Al+3 0.306 0.125 0.25 0.5 0.0
O3 O-2 0.111 0 0.75 0.5 0.0
O8 O-2 0.306 0.139 0 0.5 0.0
Ca1 Ca+2 0.069 0 0.25 0.5 0.0
Ca2 Ca+2 0.5 0 0.5 0.5 0.0
O2 O-2 0.393 0 0.75 0.5 0.0
Na1 Na+1 0.069 0 0.25 0.5 0.0
Si1 Si+4 0.25 0.25 0.875 0.5 0.0
O1 O-2 0 0.139 0 0.5 0.0
Si3 Si+4 0.306 0.125 0.25 0.5 0.0
Al2 Al+3 0.125 0.194 0.5 0.5 0.0
Si2 Si+4 0.125 0.194 0.5 0.5 0.0
O7 O-2 0.181 0.119 0.375 0.5 0.0
Al1 Al+3 0.25 0.25 0.875 0.5 0.0
