#------------------------------------------------------------------------------
#$Date: 2012-02-28 15:44:07 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000277.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_9000277
loop_
_publ_author_name
'Wardle, R.'
'Brindley, G. W.'
_publ_section_title
;
 The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              732
_journal_page_last               750
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Al2 O11 Si4'
_chemical_name_mineral           Pyrophyllite-1Tc
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                91.17
_cell_angle_beta                 100.21
_cell_angle_gamma                88.62
_cell_length_a                   5.1919
_cell_length_b                   9.1224
_cell_length_c                   9.4990
_cell_volume                     442.585
_exptl_crystal_density_diffrn    2.569
_[local]_cod_chemical_formula_sum_orig 'Al2 Si4 O11'
_cod_database_code               9000277
_amcsd_database_code             AMCSD#0000285
loop_
_symmetry_equiv_pos_as_xyz
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
Al 0.55200 0.14900 0.00000
Si1 0.22500 0.48600 0.28600
Si2 0.74900 0.31200 0.28600
O1 0.25000 0.25000 0.00000
O2 0.12300 0.49200 0.11500
O3 0.72800 0.29200 0.11500
O4 0.03700 0.37800 0.35500
O5 0.71700 0.15200 0.35500
O6 0.52200 0.42500 0.32000