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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/21/1532100.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1532100
loop_
_publ_author_name
'Redhammer, G.J.'
'Roth, G.'
_publ_section_title
;
 Single-crystal structure refinements and crystal chemistry of synthetic
 trioctahedral micas K M3 (Al(3+), Si(3+))4 O10 (O H)2, where M = Ni(2+),
 Mg(2+), Co(2+), Fe(2+) or Al(3+)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al0.98 Fe3.19 H2 K O12 Si2.83'
_chemical_name_systematic        'K Fe3 ((Al0.98 Si2.83 Fe0.19) O10) (O H)2'
_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                 100.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4059
_cell_length_b                   9.3639
_cell_length_c                   10.3235
_cell_volume                     514.320
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Redhammer_AMMIAY_2002_662.cif
_cod_data_source_block           H2Al0.98Fe3.19K1O12Si2.83
_cod_original_cell_volume        514.3197
_cod_original_formula_sum        'H2 Al0.98 Fe3.19 K1 O12 Si2.83'
_cod_database_code               1532100
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 Fe+3 0.57281 0.1666 0.22473 0.0475 0.0
H1 H+1 0.108 0 0.314 1 0.0
O3 O-2 0.62887 0.16638 0.38846 1 0.0
K1 K+1 0 0 0 1 0.0
O4 O-2 0.12753 0 0.39288 1 0.0
O1 O-2 0.80853 0.24357 0.16801 1 0.0
Al1 Al+3 0.57281 0.1666 0.22473 0.245 0.0
O2 O-2 0.53927 0 0.16774 1 0.0
Fe2 Fe+2 0 0.5 0.5 1 0.0
Si1 Si+4 0.57218 0.1666 0.22473 0.7075 0.0
Fe3 Fe+2 0 0.83209 0.5 1 0.0
