#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002269.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_4002269
loop_
_publ_author_name
'Tripathi, A.'
'Parise, J.B.'
'Kim, S.-J.'
'Uh, Y.S.'
'Johnson, G.M.'
'Lee, Y.-J.'
_publ_section_title
;
 Structural changes and cation site ordering in Na and K forms of
 aluminogermanates with the zeolite gismondine topology
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3760
_journal_page_last               3769
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Al Ge H2 K0.5 Na0.5 O5'
_chemical_name_systematic        'K0.5 Na0.5 (Al Ge O4) (H2 O)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.01
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.323
_cell_length_b                   9.754
_cell_length_c                   10.238
_cell_volume                     1030.870
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Tripathi_CMATEX_2000_1161.cif
_cod_data_source_block           H2Al1Ge1K0.5Na0.5O5
_cod_original_cell_volume        1030.87
_cod_original_sg_symbol_Hall     '-C 2yc (x+z,y,-x)'
_cod_original_formula_sum        'H2 Al1 Ge1 K0.5 Na0.5 O5'
_cod_database_code               4002269
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z
-x,-y,-z
x-1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x,-y+1/2,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
O7 O-2 0.6922 0.7299 0.1012 0.5 0.0
K1 K+1 0.5919 0.0259 -0.0558 0.5 0.0
Na1 Na+1 0.6945 0.7284 0.1621 0.5 0.0
O2 O-2 0.5646 -0.0796 0.3164 1 0.0
O1 O-2 0.7935 0.0664 0.318 1 0.0
O3 O-2 0.5729 0.1705 0.1814 1 0.0
Al1 Al+3 0.9253 0.1605 0.3752 1 0.0
O4 O-2 0.5709 0.1788 0.4549 1 0.0
Ge1 Ge+4 0.6258 0.0862 0.3206 1 0.0
O8 O-2 0.6621 0.0133 -0.0424 0.5 0.0
