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#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
#$Revision: 287555 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000645.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_9000645
loop_
_publ_author_name
'Mazzi, F.'
'Galli, E.'
_publ_section_title
;
 Is each analcime different?
 ANA 4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              448
_journal_page_last               460
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al1.64 H4 Na2.03 O14 Si4.36'
_chemical_name_mineral           Analcime
_space_group_IT_number           73
_symmetry_space_group_name_Hall  '-I 2b 2c'
_symmetry_space_group_name_H-M   'I b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.733
_cell_length_b                   13.729
_cell_length_c                   13.712
_cell_volume                     2585.265
_exptl_crystal_density_diffrn    2.251
_cod_original_formula_sum        'Al1.64 Si4.36 Na2.03 O14 H.668'
_cod_database_code               9000645
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,1/2+z
1/2+x,-y,+z
-x,1/2+y,1/2-z
1/2-x,+y,-z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-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,-y,-z
1/2-x,1/2-y,1/2-z
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
_atom_site_attached_hydrogens
Al11 Al 0.12560 0.16240 0.41220 0.44000 0.01102 .
Si11 Si 0.12560 0.16240 0.41220 0.56000 0.01102 .
Al12 Al 0.41240 0.12430 0.16230 0.38000 0.01102 .
Si12 Si 0.41240 0.12430 0.16230 0.62000 0.01102 .
Si2 Si 0.16250 0.41230 0.12520 1.00000 0.01115 .
Na11 Na 0.12470 0.00000 0.25000 0.77000 0.03635 .
Na12 Na 0.25000 0.12520 0.00000 0.74000 0.03686 .
Na2 Na 0.00000 0.25000 0.12500 0.52000 0.03230 .
O11 O 0.10480 0.36760 0.21890 1.00000 0.02824 .
O12 O 0.38240 0.14520 0.46860 1.00000 0.02824 .
O21 O 0.22070 0.10400 0.36410 1.00000 0.02761 .
O22 O 0.14580 0.47040 0.38510 1.00000 0.02824 .
O31 O 0.36500 0.21890 0.10430 1.00000 0.02748 .
O32 O 0.46910 0.38530 0.14590 1.00000 0.02710 .
Wat O 0.12360 0.12680 0.12520 1.00000 0.07624 2
_database_code_amcsd 0000657
