#------------------------------------------------------------------------------
#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$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_length_a                   5.32
_cell_length_b                   9.21
_cell_length_c                   10.16
_cell_volume                     490.203
_exptl_crystal_density_diffrn    2.827
_[local]_cod_chemical_formula_sum_orig 'K Mg3 (Si3 Al) O12 H2'
_cod_database_code               9000074
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
-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
K 0.00000 0.50000 0.00000 1.00000
Mg1 0.00000 0.00000 0.50000 1.00000
Mg2 0.00000 0.33000 0.50000 1.00000
Si 0.57500 0.33000 0.22000 0.75000
Al 0.57500 0.33000 0.22000 0.25000
O1 0.05500 0.00000 0.16000 1.00000
O2 0.80500 0.25000 0.16000 1.00000
O3 0.63000 0.33000 0.38000 1.00000
O-H 0.63000 0.00000 0.38000 1.00000