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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/1/53/72/1537208.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_1537208
loop_
_publ_author_name
'Kvick, A.'
'Smith, J.V.'
_publ_section_title
;
 A neutron diffraction study of the zeolite edingtonite
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2356
_journal_page_last               2362
_journal_volume                  79
_journal_year                    1983
_chemical_formula_sum            'Al4 Ba2 H14 O27 Si6'
_chemical_name_systematic        'Ba2 (Al4 Si6 O20) (H2 O)7'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.537
_cell_length_b                   9.651
_cell_length_c                   6.509
_cell_volume                     599.099
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Kvick_JCPSA6_1983_667.cif
_cod_data_source_block           H14Al4Ba2O27Si6
_cod_original_cell_volume        599.0986
_cod_original_formula_sum        'H14 Al4 Ba2 O27 Si6'
_cod_database_code               1537208
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
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
Si2 Si+4 -0.17568 0.09407 0.38762 1 0.0
O3 O-2 0.19836 0.03763 0.53741 1 0.0
O4 O-2 0.03649 0.13362 0.87695 1 0.0
Ba1 Ba+2 0.5 0 0.63117 1 0.0
O1 O-2 0.17414 0.33126 0.63273 1 0.0
Si1 Si+4 0 0 0.01365 1 0.0
Al1 Al+3 0.09245 0.17139 0.62657 1 0.0
H1 H+1 0.13081 0.26044 0.0562 0.844 0.0
H3 H+1 0.30048 0.08839 0.04942 0.909 0.0
O2 O-2 -0.05301 0.19639 0.46728 1 0.0
H4 H+1 0.41511 0.2044 0.03767 0.909 0.0
H2 H+1 0.23738 0.36941 0.0635 0.844 0.0
O7 O-2 0.37851 0.122 -0.02375 0.909 0.0
O6 O-2 0.17627 0.32248 0.14994 0.844 0.0
O5 O-2 -0.13505 0.03586 0.15743 1 0.0
