#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000111.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_9000111
loop_
_publ_author_name
'Steinfink, H.'
_publ_section_title
;
 Crystal structure of a trioctahedral mica: Phlogopite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              886
_journal_page_last               889
_journal_volume                  47
_journal_year                    1962
_chemical_formula_sum            'Fe H2 K0.9 Mg3 Mn0.1 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                 100.0
_cell_angle_gamma                90
_cell_length_a                   5.36
_cell_length_b                   9.29
_cell_length_c                   10.41
_cell_volume                     510.485
_database_code_amcsd             0000114
_exptl_crystal_density_diffrn    2.913
_cod_original_formula_sum        '(K.9 Mn.1) Mg3 (Si3 Fe) O12 H2'
_cod_database_code               9000111
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_U_iso_or_equiv
K 0.00000 0.00000 0.00000 0.90000 0.02812
Mn 0.00000 0.00000 0.00000 0.10000 0.02812
Mg1 0.00000 0.50000 0.50000 1.00000 0.01760
Mg2 0.00000 0.83330 0.50000 1.00000 0.01760
Si 0.57660 0.16790 0.22610 0.75000 0.03065
Fe 0.57660 0.16790 0.22610 0.25000 0.03458
O1 0.83380 0.22290 0.16920 1.00000 0.03534
O2 0.62730 0.16820 0.39000 1.00000 0.03534
O3 0.49630 0.00000 0.17000 1.00000 0.03534
O-H4 0.13540 0.00000 0.39550 1.00000 0.03534