#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016423.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_9016423
loop_
_publ_author_name
'Hendricks, S.'
_publ_section_title
;
 The Crystal Structure of Nacrite Al2 O3 . 2Si O2 . 2H2 O and the
 Polymorphism of the Kaolin Minerals.
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              509
_journal_page_last               518
_journal_volume                  100
_journal_year                    1939
_chemical_formula_sum            'Al2 O9 Si2'
_chemical_name_mineral           Nacrite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.33
_cell_angle_gamma                90
_cell_length_a                   8.94
_cell_length_b                   5.14
_cell_length_c                   43.0
_cell_formula_units_Z            12
_cell_volume                     1975.886
_database_code_amcsd             0017961
_exptl_crystal_density_diffrn    2.563
_cod_duplicate_entry             1011062
_cod_original_formula_sum        'Al2 Si2 O9'
_cod_database_code               9016423
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+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
Al1 0.83330 0.16670 0.06400
Al2 0.16670 0.16670 0.06400
Al3 0.50000 0.16670 0.73070
Al4 0.83330 0.16670 0.73070
Al5 0.16670 0.16670 0.39730
Al6 0.50000 0.16670 0.39730
Si1 0.00000 0.00000 0.66670
Si2 0.66670 0.00000 0.33330
Si3 0.33330 0.00000 0.00000
Si4 0.00000 0.00000 0.33330
Si5 0.66670 0.00000 0.00000
Si6 0.33330 0.00000 0.66670
O1 0.00000 0.00000 0.70300
O2 0.66670 0.00000 0.37000
O3 0.33330 0.00000 0.03600
O4 0.00000 0.00000 0.37000
O5 0.66670 0.00000 0.03700
O6 0.33330 0.00000 0.70300
O7 0.00000 0.00000 0.03700
O8 0.66670 0.00000 0.70400
O9 0.33330 0.00000 0.37000
O10 0.25000 0.25000 -0.01200
O11 0.91700 0.25000 0.65500
O12 0.58300 0.25000 0.32100
O13 0.00000 0.50000 -0.01200
O14 0.66670 0.50000 0.65500
O15 0.33330 0.50000 0.32100
O16 0.75000 0.25000 -0.01200
O17 0.41700 0.25000 0.65500
O18 0.08300 0.25000 0.32100
O19 0.66650 0.33350 0.08600
O20 0.33320 0.33350 0.75270
O21 -0.00020 0.33350 0.41930
O22 0.00000 0.33300 0.08600
O23 0.66670 0.33300 0.41930
O24 0.33330 0.33300 0.75270
O25 0.33350 0.33350 0.08600
O26 0.66680 0.33350 0.41930
O27 0.00020 0.33350 0.75270
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017961
