#------------------------------------------------------------------------------
#$Date: 2023-03-26 09:09:57 +0100 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009732.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009732
loop_
_publ_author_name
'Yamada, M.'
'Miyawaki, R.'
'Nakai, I.'
'Izumi, F.'
'Nagashima, K.'
_publ_section_title
;
 A Rietveld analysis of the crystal structure of ammonioleucite
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              105
_journal_page_last               112
_journal_paper_doi               10.2465/minerj.20.105
_journal_volume                  20
_journal_year                    1998
_chemical_formula_sum            'Al0.89 K0.34 N0.53 O6 Si2.11'
_chemical_name_mineral           Ammonioleucite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.2106
_cell_length_b                   13.2106
_cell_length_c                   13.7210
_cell_volume                     2394.588
_database_code_amcsd             0014433
_exptl_crystal_density_diffrn    2.219
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'N.53 K.34 Al.89 Si2.11 O6'
_cod_database_code               9009732
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
3/4+y,1/4-x,1/4-z
1/4+y,3/4-x,3/4-z
3/4-y,1/4+x,1/4+z
1/4-y,3/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
3/4-y,3/4+x,3/4-z
1/4-y,1/4+x,1/4-z
3/4+y,3/4-x,3/4+z
1/4+y,1/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
NH4 0.35800 0.36800 0.11200 0.53000 0.08232
K 0.35800 0.36800 0.11200 0.34000 0.08232
Al1 0.06320 0.39500 0.16720 0.29660 0.01216
Si1 0.06320 0.39500 0.16720 0.70330 0.01216
Al2 0.16680 0.61150 0.12500 0.29660 0.01127
Si2 0.16680 0.61150 0.12500 0.70330 0.01127
Al3 0.39000 0.64180 0.08720 0.29660 0.01229
Si3 0.39000 0.64180 0.08720 0.70330 0.01229
O1 0.12400 0.30400 0.11100 1.00000 0.03002
O2 0.10600 0.50700 0.12600 1.00000 0.02938
O3 0.13000 0.66300 0.22460 1.00000 0.02305
O4 0.12500 0.67000 0.03100 1.00000 0.02381
O5 0.29210 0.58300 0.12400 1.00000 0.02520
O6 0.48200 0.62700 0.16200 1.00000 0.02368
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014433