#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526640.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_1526640
loop_
_publ_author_name
'Skofteland, B.M.'
'Lillerud, K.P.'
'Ellestad, O.H.'
_publ_section_title
;
 Potassium merlinoite: crystallization, structural and thermal properties
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              61
_journal_page_last               71
_journal_volume                  43
_journal_year                    2001
_chemical_formula_sum            'Al11.5 H31.04 K11.5 O79.52 Si20.5'
_chemical_name_systematic        'K11.5 (Al11.5 Si20.5 O64) (H2 O)15.52'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.0716
_cell_length_b                   14.1978
_cell_length_c                   10.02912
_cell_volume                     2003.675
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Skofteland_MIMMFJ_2001_1771.cif
_cod_data_source_block           H31.04Al11.5K11.5O79.52Si20.5
_cod_original_formula_sum        'H31.04 Al11.5 K11.5 O79.52 Si20.5'
_cod_database_code               1526640
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-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
Si2 Si+4 0.2758 0.1092 0.153 0.6406 0.0
O4 O-2 0.3126 0 0.2073 1 0.0
K1 K+1 0.1717 0.5 0 1 0.0
O7 O-2 0 0.5 0.5 1.2 0.0
Al1 Al+3 0.1053 0.246 0.1549 0.3594 0.0
K2 K+1 0.5 0.2258 0 1 0.0
O2 O-2 0.3007 0.1346 0 1 0.0
O3 O-2 0 0.2001 0.1724 1 0.0
K4 K+1 0 0.5 0.2094 0.15 0.0
Si1 Si+4 0.1053 0.246 0.1549 0.6406 0.0
K3 K+1 0.5 0.5 0.559 0.725 0.0
O6 O-2 0.3693 0.1581 0.2345 1 0.0
O1 O-2 0.1404 0.2931 0 1 0.0
O8 O-2 0.1433 0.123 0.5 1.64 0.0
O5 O-2 0.1672 0.1418 0.1797 1 0.0
Al2 Al+3 0.2758 0.1092 0.153 0.3594 0.0
