#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/28/9002841.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_9002841
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: G-117
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1476
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum
'Al1.71 F0.04 Fe2.37 H1.9 K Mg0.12 Mn0.03 O11.96 Si2.56 Ti0.03'
_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                 100.220
_cell_angle_gamma                90
_cell_length_a                   5.3741
_cell_length_b                   9.3083
_cell_length_c                   10.2829
_cell_formula_units_Z            2
_cell_volume                     506.228
_database_code_amcsd             0002930
_exptl_crystal_density_diffrn    3.211
_cod_original_formula_sum
'Al1.71 Si2.56 Mg.12 Fe2.37 Mn.03 Ti.03 K O11.96 F.04 H1.9'
_cod_database_code               9002841
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 0.57540 0.16681 0.22577 0.36000 0.01229
SiT 0.57540 0.16681 0.22577 0.64000 0.01229
MgM1 0.00000 0.50000 0.50000 0.04000 0.01039
FeM1 0.00000 0.50000 0.50000 0.79000 0.01039
AlM1 0.00000 0.50000 0.50000 0.09000 0.01039
MnM1 0.00000 0.50000 0.50000 0.01000 0.01039
TiM1 0.00000 0.50000 0.50000 0.01000 0.01039
MgM2 0.00000 0.83199 0.50000 0.04000 0.01051
FeM2 0.00000 0.83199 0.50000 0.79000 0.01051
AlM2 0.00000 0.83199 0.50000 0.09000 0.01051
MnM2 0.00000 0.83199 0.50000 0.01000 0.01051
TiM2 0.00000 0.83199 0.50000 0.01000 0.01051
K 0.00000 0.00000 0.00000 1.00000 0.03660
O1 0.82658 0.22975 0.16961 1.00000 0.02470
O2 0.51517 0.00000 0.17068 1.00000 0.02343
O3 0.63165 0.16790 0.39203 1.00000 0.01798
F4 0.12709 0.00000 0.39672 0.02000 0.01925
O4 0.12709 0.00000 0.39672 0.98000 0.01925
H 0.11700 0.00000 0.30500 0.95000 0.02976
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002930
