#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/23/9002315.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_9002315
loop_
_publ_author_name
'Redhammer, G. J.'
'Beran, A.'
'Schneider, J.'
'Amthauer, G.'
'Lottermoser, W.'
_publ_section_title
;
 Spectroscopic and structural properties of synthetic micas on the
 annite-siderophyllite binary: Synthesis, crystal structure refinement,
 Mossbauer, and infrared spectroscopy
 Sample: G-117
;
_journal_name_full               'American Mineralogist'
_journal_page_first              449
_journal_page_last               465
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al3.448 Fe3 K0.99 Na0.01 O12 Si2.552'
_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                 100.22
_cell_angle_gamma                90
_cell_length_a                   5.377
_cell_length_b                   9.308
_cell_length_c                   10.283
_cell_formula_units_Z            2
_cell_volume                     506.489
_database_code_amcsd             0002399
_exptl_crystal_density_diffrn    3.693
_cod_original_formula_sum        'Si2.552 Al3.448 Fe3 (K.99 Na.01) O12'
_cod_database_code               9002315
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 0.57540 0.16681 0.22579 0.63800 0.01254
AlT 0.57540 0.16681 0.22579 0.11200 0.01254
Al1 0.00000 0.50000 0.50000 1.00000 0.01102
Fe1 0.00000 0.50000 0.50000 1.00000 0.01102
Al2 0.00000 0.83196 0.50000 1.00000 0.01127
Fe2 0.00000 0.83196 0.50000 1.00000 0.01127
K 0.00000 0.00000 0.00000 0.99000 0.03610
Na 0.00000 0.00000 0.00000 0.01000 0.03610
O1 0.82600 0.22980 0.16950 1.00000 0.02546
O2 0.51580 0.00000 0.17060 1.00000 0.02444
O3 0.63190 0.16790 0.39180 1.00000 0.01824
O4 0.12710 0.00000 0.39630 1.00000 0.02039
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002399
