#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002842.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_9002842
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: Sdp#3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
;Al2.1 Cl0.02 F0.1 Fe2.12 H1.88 K0.89 Mg0.06 Mn0.12 Na0.04 O11.88 Si2.48
 Ti0.03
;
_chemical_name_mineral           Siderophyllite
_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                 100.250
_cell_angle_gamma                90
_cell_length_a                   5.3710
_cell_length_b                   9.3020
_cell_length_c                   10.2560
_cell_formula_units_Z            2
_cell_volume                     504.223
_database_code_amcsd             0002931
_exptl_crystal_density_diffrn    3.191
_cod_original_formula_sum
'Al2.1 Si2.48 Fe2.12 Mg.06 Mn.12 Ti.03 K.89 Na.04 O11.88 F.1 Cl.02 H1.88'
_cod_database_code               9002842
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 0.57587 0.16692 0.22617 0.36000 0.01355
SiT 0.57587 0.16692 0.22617 0.62000 0.01355
FeT 0.57587 0.16692 0.22617 0.02000 0.01355
MgM1 0.00000 0.50000 0.50000 0.02000 0.01292
FeM1 0.00000 0.50000 0.50000 0.68000 0.01292
AlM1 0.00000 0.50000 0.50000 0.22000 0.01292
MnM1 0.00000 0.50000 0.50000 0.04000 0.01292
TiM1 0.00000 0.50000 0.50000 0.01000 0.01292
MgM2 0.00000 0.83133 0.50000 0.02000 0.01343
FeM2 0.00000 0.83133 0.50000 0.68000 0.01343
AlM2 0.00000 0.83133 0.50000 0.22000 0.01343
MnM2 0.00000 0.83133 0.50000 0.04000 0.01343
TiM2 0.00000 0.83133 0.50000 0.01000 0.01343
K 0.00000 0.00000 0.00000 0.89000 0.03572
Na 0.00000 0.00000 0.00000 0.04000 0.03572
O1 0.82850 0.22801 0.17015 1.00000 0.02444
O2 0.51258 0.00000 0.17127 1.00000 0.02444
O3 0.63295 0.16808 0.39273 1.00000 0.02014
F4 0.12562 0.00000 0.39761 0.05000 0.02356
Cl4 0.12562 0.00000 0.39761 0.01000 0.02356
O4 0.12562 0.00000 0.39761 0.94000 0.02356
H 0.10000 0.00000 0.32400 0.94000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002931
