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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002837.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_9002837
loop_
_publ_author_name
'Redhammer, G. J.'
'Roth, G.'
_publ_section_title
;
 Single-crystal structure refinements and crystal chemistry of
 synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where
 M = Ni, Mg, Co, Fe, Al
 Sample: Mga1.6#4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.04 Fe0.3 H2 K Mg2.7 O12 Si2.96'
_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                 99.932
_cell_angle_gamma                90
_cell_length_a                   5.3257
_cell_length_b                   9.2241
_cell_length_c                   10.3056
_cell_formula_units_Z            2
_cell_volume                     498.673
_database_code_amcsd             0002926
_exptl_crystal_density_diffrn    2.842
_cod_original_formula_sum        '(Al1.04 Si2.96) (Mg2.7 Fe.3) K O12 H2'
_cod_database_code               9002837
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
AlT 0.57576 0.16683 0.22793 0.26000 0.00735
SiT 0.57576 0.16683 0.22793 0.74000 0.00735
MgM1 0.00000 0.50000 0.50000 0.90000 0.00709
FeM1 0.00000 0.50000 0.50000 0.10000 0.00709
MgM2 0.00000 0.83388 0.50000 0.90000 0.00709
FeM2 0.00000 0.83388 0.50000 0.10000 0.00709
K 0.00000 0.00000 0.00000 1.00000 0.03280
O1 0.82878 0.22745 0.17055 1.00000 0.01900
O2 0.51118 0.00000 0.17082 1.00000 0.01925
O3 0.63032 0.16706 0.39130 1.00000 0.00925
O4 0.13321 0.00000 0.39910 1.00000 0.01013
H 0.11300 0.00000 0.32800 1.00000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002926
