#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008041.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_9008041
loop_
_publ_author_name
'Gruner, J. W.'
_publ_section_title
;
 The crystal structures of talc and pyrophyllite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              412
_journal_page_last               419
_journal_volume                  88
_journal_year                    1934
_chemical_compound_source
'Tres Cerritos, Mariposa County, California, USA'
_chemical_formula_sum            'Al H O6 Si2'
_chemical_name_mineral           Pyrophyllite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.92
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.14
_cell_length_b                   8.90
_cell_length_c                   18.55
_cell_volume                     835.901
_database_code_amcsd             0010542
_exptl_crystal_density_diffrn    2.863
_cod_original_formula_sum        'Al Si2 O6 H'
_cod_database_code               9008041
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
-x,y,1/2-z
1/2-x,1/2+y,1/2-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_type_symbol
_atom_site_attached_hydrogens
Al 0.00000 0.33300 0.00000 Al 0
Si1 -0.23900 0.00000 0.14300 Si 0
Si2 0.26100 0.16700 0.14300 Si 0
O1 0.20300 0.50000 0.05800 O 0
O2 0.20300 0.16700 0.05800 O 0
O-H1 0.20300 -0.16700 0.05800 O 1
O3 0.02500 0.08300 0.17600 O 0
O4 -0.47500 0.08300 0.17600 O 0
O5 0.27500 0.33300 0.17600 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9574 2023-05-10 09:00:05Z saulius
;
2023-05-10T18:51:08+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010542
