#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/12/1011255.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_1011255
loop_
_publ_author_name
'Taylor, W H'
'Meek, C A'
'Jackson, W W'
_publ_section_title              'The structures of fibrous zeolites'
_journal_coden_ASTM              ZEKGAX
_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_structural     'Na2 Al2 Si3 O10 (H2 O)2'
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_chemical_name_systematic        'Sodium tecto-alumosilicate hydrate *'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.29999(10000)
_cell_length_b                   18.59999(10000)
_cell_length_c                   6.57(2)
_cell_volume                     2236.3
_exptl_crystal_density_meas      2.24
_cod_original_formula_sum        'H4 Al2 Na2 O12 Si3'
_cod_database_code               1011255
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/4-x,1/4+y,1/4+z
1/4+x,1/4-y,1/4+z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
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
O1 O2- 16 b 0.069 0.181 0.125 1. 2 d
O2 O2- 16 b 0.069 0.181 0.625 1. 0 d
O3 O2- 16 b 0.014 0.067 0.875 1. 0 d
O4 O2- 16 b 0.183 0.236 0.375 1. 0 d
O5 O2- 16 b 0.097 0.042 0.5 1. 0 d
O6 O2- 16 b 0.208 0.153 0.75 1. 0 d
Si1 Si4+ 8 a 0. 0. 0. 1. 0 d
Si2 Si4+ 16 b 0.153 0.208 0.625 1. 0 d
Al1 Al3+ 16 b 0.036 0.089 0.625 1. 0 d
Na1 Na1+ 16 b 0.222 0.028 0.625 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Si4+ 4.000
Al3+ 3.000
Na1+ 1.000
H1+ 1.000
