#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/05/9010503.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_9010503
loop_
_publ_author_name
'Nazzareni, S.'
'Comodi, P.'
'Bindi, L.'
'Safonov, O. G.'
'Litvin, Y. A.'
'Perchuk, L. L.'
_publ_section_title
;
 Synthetic hypersilicic Cl-bearing mica in the phlogopite-celadonite join:
 a mulitmethodical characterization of the missing link between di- and tri-
 octahedral micas at high pressures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1429
_journal_page_last               1436
_journal_paper_doi               10.2138/am.2008.2802
_journal_volume                  93
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.5 Cl0.392 K Mg2.722 O11.608 Si3.5'
_chemical_name_mineral           Phlogopite
_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                 100.06
_cell_angle_gamma                90
_cell_length_a                   5.299
_cell_length_b                   9.167
_cell_length_c                   10.226
_cell_formula_units_Z            2
_cell_volume                     489.100
_database_code_amcsd             0004636
_exptl_crystal_density_diffrn    2.829
_cod_original_formula_sum        'K (Si3.5 Al.5) Mg2.722 O11.608 Cl.392'
_cod_database_code               9010503
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.03700 0.03630 0.04840 0.00000 0.00870 0.00000
Si 0.01020 0.00690 0.01380 -0.00010 0.00180 -0.00070
Al 0.01020 0.00690 0.01380 -0.00010 0.00180 -0.00070
MgM1 0.00800 0.00550 0.01030 0.00000 0.00190 0.00000
MgM2 0.01640 0.01020 0.01750 0.00000 0.00480 0.00000
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
K 0.00000 0.00000 0.00000 1.00000 0.04040
Si 0.57620 0.16700 0.22870 0.87500 0.01030
Al 0.57620 0.16700 0.22870 0.12500 0.01030
MgM1 0.00000 0.50000 0.50000 0.85200 0.00800
MgM2 0.00000 0.83200 0.50000 0.93500 0.01450
O1 0.81190 0.24350 0.16780 1.00000 0.01880
O2 0.54280 0.00000 0.16850 1.00000 0.01660
O3 0.63010 0.16740 0.38930 1.00000 0.01050
O4 0.13280 0.00000 0.40020 0.80400 0.01370
Cl 0.11800 0.00000 0.34960 0.19600 0.04800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004636
