#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002836.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_9002836
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: Mga1.2#1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al1.04 Fe0.78 H2 K Mg2.22 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                 99.962
_cell_angle_gamma                90
_cell_length_a                   5.3409
_cell_length_b                   9.2536
_cell_length_c                   10.3087
_cell_formula_units_Z            2
_cell_volume                     501.801
_database_code_amcsd             0002925
_exptl_crystal_density_diffrn    2.924
_cod_original_formula_sum        '(Al1.04 Si2.96) (Mg2.22 Fe.78) K O12 H2'
_cod_database_code               9002836
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 0.57634 0.16674 0.22776 0.26000 0.01659
SiT 0.57634 0.16674 0.22776 0.74000 0.01659
MgM1 0.00000 0.50000 0.50000 0.74000 0.01596
FeM1 0.00000 0.50000 0.50000 0.26000 0.01596
MgM2 0.00000 0.83387 0.50000 0.74000 0.01558
FeM2 0.00000 0.83387 0.50000 0.26000 0.01558
K 0.00000 0.00000 0.00000 1.00000 0.04648
O1 0.82827 0.22845 0.17024 1.00000 0.02888
O2 0.51402 0.00000 0.17123 1.00000 0.02989
O3 0.63027 0.16727 0.38943 1.00000 0.01697
O4 0.13309 0.00000 0.39728 1.00000 0.02077
H 0.12500 0.00000 0.30900 1.00000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002925
