#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/62/9016278.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_9016278
loop_
_publ_author_name
'Dent, L. S.'
'Smith, J. V.'
_publ_section_title
;
 Crystal structure of chabazite, a molecular sieve
 Note: extra-framework cations not located
;
_journal_name_full               Nature
_journal_page_first              1794
_journal_page_last               1796
_journal_volume                  181
_journal_year                    1958
_chemical_formula_sum            'Al0.32 O2 Si0.68'
_chemical_name_mineral           Chabazite-Ca
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.3
_cell_angle_beta                 94.3
_cell_angle_gamma                94.3
_cell_length_a                   9.4
_cell_length_b                   9.4
_cell_length_c                   9.4
_cell_formula_units_Z            12
_cell_volume                     823.197
_database_code_amcsd             0017695
_exptl_crystal_density_diffrn    1.446
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        '(Al.32 Si.68) O2'
_cod_database_code               9016278
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-z,-y
-z,-x,-y
y,x,z
y,z,x
-z,-y,-x
-x,-y,-z
x,z,y
z,x,y
-y,-x,-z
-y,-z,-x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 0.34000 0.11000 -0.12000 0.32000
Si1 0.34000 0.11000 -0.12000 0.68000
O1 0.27000 -0.27000 0.00000 1.00000
O2 0.17000 -0.17000 0.50000 1.00000
O3 0.25000 0.25000 0.90000 1.00000
O4 0.03000 0.03000 0.35000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017695
