#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/30/9003081.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_9003081
loop_
_publ_author_name
'Dera, P.'
'Prewitt, C. T.'
'Japel, S.'
'Bish, D. L.'
'Johnston, C. T.'
_publ_section_title
;
 Pressure-controlled polytypism in hydrous layered materials
 Sample: Low pressure dickite at P = 0.1 MPa    
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1428
_journal_page_last               1435
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Dickite
_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                 96.77
_cell_angle_gamma                90
_cell_length_a                   5.161
_cell_length_b                   8.960
_cell_length_c                   14.459
_cell_formula_units_Z            4
_cell_volume                     663.959
_database_code_amcsd             0003170
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.583
_cod_original_formula_sum        'Si2 Al2 O9 H4'
_cod_database_code               9003081
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
_atom_site_U_iso_or_equiv
Si1 0.00880 0.40100 0.03240 0.01200
Si2 -0.00350 0.07220 0.03150 0.01000
Al1 0.91260 0.25230 0.22330 0.01600
Al2 0.41840 0.41760 0.22260 0.01800
O1 0.95620 0.23800 0.98640 0.01700
O2 0.25480 0.47140 0.98560 0.01800
O3 0.76360 0.50580 0.99910 0.01700
O4 0.07890 0.39080 0.14280 0.02100
O5 0.00250 0.08070 0.14430 0.01200
O-h1 0.58500 0.27470 0.14880 0.02200
O-h2 0.24320 0.27800 0.28660 0.01800
O-h3 0.25250 0.89320 0.28880 0.01500
O-h4 0.32340 0.58370 0.28630 0.02100
H1 0.57000 0.17300 0.15200 0.02600
H2 0.30700 0.26000 0.34600 0.02200
H3 0.25000 0.99000 0.30500 0.01800
H4 0.27000 0.58800 0.34200 0.02600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003170
