#------------------------------------------------------------------------------
#$Date: 2023-05-10 20:44:19 +0300 (Wed, 10 May 2023) $
#$Revision: 283658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/00/9000074.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_9000074
loop_
_publ_author_name
'Pabst, A.'
_publ_section_title
;
 Redescription of the single layer structure of the micas
;
_journal_name_full               'American Mineralogist'
_journal_page_first              967
_journal_page_last               974
_journal_volume                  40
_journal_year                    1955
_chemical_formula_sum            'Al H2 K Mg3 O12 Si3'
_chemical_name_mineral           Phlogopite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.03
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.32
_cell_length_b                   9.21
_cell_length_c                   10.16
_cell_volume                     490.203
_database_code_amcsd             0000077
_exptl_crystal_density_diffrn    2.827
_cod_original_formula_sum        'K Mg3 (Si3 Al) O12 H2'
_cod_database_code               9000074
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-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
_atom_site_occupancy
_atom_site_type_symbol
_atom_site_attached_hydrogens
K 0.00000 0.50000 0.00000 1.00000 K 0
Mg1 0.00000 0.00000 0.50000 1.00000 Mg 0
Mg2 0.00000 0.33000 0.50000 1.00000 Mg 0
Si 0.57500 0.33000 0.22000 0.75000 Si 0
Al 0.57500 0.33000 0.22000 0.25000 Al 0
O1 0.05500 0.00000 0.16000 1.00000 O 0
O2 0.80500 0.25000 0.16000 1.00000 O 0
O3 0.63000 0.33000 0.38000 1.00000 O 0
O-H 0.63000 0.00000 0.38000 1.00000 O 1
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
;
2023-05-10T18:45:43+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 0000077