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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/95/1529558.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_1529558
loop_
_publ_author_name
'Amirov, S.T.'
'Asratkulu, M.O.'
'Mamedov, H.S.'
'Belov, N.V.'
_publ_section_title
;
 The crystal structure of zeolite-gonnardite Na2 Ca (Al2 Si3 O10)2 (H2 O)6
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1299
_journal_page_last               1301
_journal_volume                  203
_journal_year                    1972
_chemical_formula_sum            'Al4 Ca H12 Na2 O26 Si6'
_chemical_name_systematic        'Na2 Ca (Al2 Si3 O10)2 (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                   13.4
_cell_length_b                   13.4
_cell_length_c                   6.63
_cell_volume                     1190.483
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Amirov_DANKAS_1972_439.cif
_cod_data_source_block           H12Al4Ca1Na2O26Si6
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'H12 Al4 Ca1 Na2 O26 Si6'
_cod_database_code               1529558
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
O1 O-2 0.353 0 0.222 0.833 0.0
O4 O-2 0.389 0.184 0.089 0.833 0.0
Si3 Si+4 0.25 0.25 0.618 0.6 0.0
Si2 Si+4 0.115 0.195 0 0.6 0.0
Na1 Na+1 0.056 0 0.268 0.5 0.0
Si1 Si+4 0.309 0.119 0.249 0.6 0.0
O6 O-2 0.161 0.197 0.768 0.833 0.0
O7 O-2 0.131 0 0.628 0.5 0.0
O5 O-2 0.314 0.163 0.475 0.833 0.0
O3 O-2 0 0.141 0 0.833 0.0
Al2 Al+3 0.115 0.195 0 0.4 0.0
Al1 Al+3 0.309 0.119 0.249 0.4 0.0
O2 O-2 0.188 0.121 0.151 0.833 0.0
O9 O-2 0 0.15 0.5 0.5 0.0
Ca1 Ca+2 0.5 0 0 0.5 0.0
O8 O-2 0.389 0 0.706 0.5 0.0
Al3 Al+3 0.25 0.25 0.618 0.4 0.0
