#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/28/9012814.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_9012814
loop_
_publ_author_name
'Baerlocher, C.'
'Meier, W. M.'
_publ_section_title
;
 Synthese und kristallstruktur von tetramethylammonium-gismondin
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              1285
_journal_page_last               1293
_journal_paper_doi               10.1002/hlca.19700530605
_journal_volume                  53
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_structural     (CH3)4NAlSi3O8*H2O
_chemical_formula_sum            'C4 Al N O8 Si3'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.457
_cell_length_b                   10.457
_cell_length_c                   9.730
_cell_formula_units_Z            4
_cell_volume                     1063.964
_database_code_amcsd             0012671
_exptl_crystal_density_diffrn    1.881
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'C4 N (Al Si3) O8'
_cod_database_code               9012814
_amcsd_formula_title             (CH3)4NAlSi3O8*H2O
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
1/4-y,3/4-x,1/4+z
3/4-y,1/4-x,3/4+z
1/4+y,3/4+x,1/4-z
3/4+y,1/4+x,3/4-z
1/4+y,3/4-x,1/4-z
3/4+y,1/4-x,3/4-z
1/4-y,3/4+x,1/4+z
3/4-y,1/4+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
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
1/4+y,1/4+x,3/4+z
3/4+y,3/4+x,1/4+z
1/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-y,1/4+x,3/4-z
3/4-y,3/4+x,1/4-z
1/4+y,1/4-x,3/4+z
3/4+y,3/4-x,1/4+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-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
C1 0.14850 0.19150 0.35100 0.25000
C2 0.07800 0.21750 0.26150 0.25000
N 0.00000 0.25000 0.37500 1.00000
Al 0.14850 0.60150 0.12500 0.25000
Si 0.14850 0.60150 0.12500 0.75000
O1 0.00000 0.58200 0.17950 1.00000
O2 0.17850 0.50000 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012671
