#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002840.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_9002840
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: Ann#1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al F0.14 Fe2.68 H1.84 K0.93 Mg0.06 Mn0.18 Na0.07 O11.86 Si2.84 Ti0.09'
_chemical_name_mineral           Annite
_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                 100.200
_cell_angle_gamma                90
_cell_length_a                   5.4059
_cell_length_b                   9.3639
_cell_length_c                   10.3235
_cell_formula_units_Z            2
_cell_volume                     514.320
_database_code_amcsd             0002929
_exptl_crystal_density_diffrn    3.256
_cod_original_formula_sum
'Si2.84 Al Fe2.68 Mg.06 Mn.18 Ti.09 (K.93 Na.07) O11.86 F.14 H1.84'
_cod_database_code               9002840
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
SiT 0.57218 0.16660 0.22473 0.71000 0.01077
AlT 0.57218 0.16660 0.22473 0.25000 0.01077
FeT 0.57218 0.16660 0.22473 0.04000 0.01077
MgM1 0.00000 0.50000 0.50000 0.02000 0.01089
FeM1 0.00000 0.50000 0.50000 0.84000 0.01089
MnM1 0.00000 0.50000 0.50000 0.06000 0.01089
TiM1 0.00000 0.50000 0.50000 0.03000 0.01089
MgM2 0.00000 0.83209 0.50000 0.02000 0.01089
FeM2 0.00000 0.83209 0.50000 0.84000 0.01089
MnM2 0.00000 0.83209 0.50000 0.06000 0.01089
TiM2 0.00000 0.83209 0.50000 0.03000 0.01089
K 0.00000 0.00000 0.00000 0.93000 0.03952
Na 0.00000 0.00000 0.00000 0.07000 0.03952
O1 0.80853 0.24357 0.16801 1.00000 0.02926
O2 0.53927 0.00000 0.16774 1.00000 0.02900
O3 0.62887 0.16638 0.38846 1.00000 0.01469
F4 0.12753 0.00000 0.39288 0.07000 0.01659
O4 0.12753 0.00000 0.39288 0.93000 0.01659
H 0.10800 0.00000 0.31400 0.92000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002929
