#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000875.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_9000875
loop_
_publ_author_name
'Mortier, W. J.'
_publ_section_title
;
 Thermal stability of the stilbite-type framework: crystal structure of the
 dehydrated sodium/ammonium exchange form
;
_journal_name_full               'American Mineralogist'
_journal_page_first              414
_journal_page_last               419
_journal_volume                  68
_journal_year                    1983
_chemical_formula_sum            'Al4.67 Na2.984 O36 Si13.07'
_chemical_name_mineral           Stilbite-Na
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.96
_cell_angle_gamma                90
_cell_length_a                   13.570
_cell_length_b                   18.260
_cell_length_c                   11.320
_cell_formula_units_Z            2
_cell_volume                     2241.321
_database_code_amcsd             0000894
_exptl_crystal_density_diffrn    1.686
_cod_original_formula_sum        'Na2.984 Al4.67 Si13.07 O36'
_cod_database_code               9000875
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-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
Na1 0.23230 0.27800 -0.03390 0.18100 0.07726
Na2 0.00000 0.50000 0.50000 0.87000 ?
Na3 0.38600 0.50000 0.27020 0.69500 ?
Al1* 0.09600 0.20390 0.29180 0.02000 0.02533
Si1* 0.09600 0.20390 0.29180 0.05700 0.02533
Al2* 0.19360 0.29550 0.29540 0.01800 0.01520
Si2* 0.19360 0.29550 0.29540 0.04900 0.01520
Al1 0.99309 0.19272 0.25505 0.23500 ?
Si1 0.99309 0.19272 0.25505 0.65700 ?
Al2 0.26117 0.30682 0.25557 0.23700 ?
Si2 0.26117 0.30682 0.25557 0.66200 ?
Al3 0.20000 0.08843 0.49954 0.26300 ?
Si3 0.20000 0.08843 0.49954 0.73700 ?
Al4 0.11365 0.31659 0.50045 0.26300 ?
Si4 0.11365 0.31659 0.50045 0.73700 ?
Al5 0.00000 0.25007 0.00000 0.26300 ?
Si5 0.00000 0.25007 0.00000 0.73700 ?
O1 0.98040 0.19870 0.10180 1.00000 ?
O2 0.12030 0.30210 0.10500 1.00000 ?
O3 0.06170 0.26680 0.35570 1.00000 ?
O4 0.06930 0.11890 0.35000 1.00000 ?
O5 0.29270 0.25250 0.35350 1.00000 ?
O6 0.28120 0.37900 0.35210 1.00000 ?
O7 0.35130 0.21230 0.20540 1.00000 ?
O8 0.31820 0.11030 0.49960 1.00000 ?
O9 0.18710 0.00000 0.50280 1.00000 ?
O10 0.00000 0.34600 0.50000 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000894
