#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/21/9002157.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_9002157
loop_
_publ_author_name
'Hawthorne, F. C.'
'Teertstra, D. K.'
'Cerny, P.'
_publ_section_title
;
 Crystal-structure refinement of a rubidian cesian phlogopite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              778
_journal_page_last               781
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum
'Al1.46 Cs0.233 Fe1.04 H2 K0.462 Li0.3 Mg1.24 O12 Rb0.275 Si2.92 Ti0.04'
_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                 100.04
_cell_angle_gamma                90
_cell_length_a                   5.343
_cell_length_b                   9.247
_cell_length_c                   10.397
_cell_formula_units_Z            2
_cell_volume                     505.815
_database_code_amcsd             0002225
_exptl_crystal_density_diffrn    3.153
_cod_original_formula_sum
'K.462 Rb.275 Cs.233 Mg1.24 Fe1.04 Li.3 Al1.46 Ti.04 Si2.92 H2 O12'
_cod_database_code               9002157
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
K 0.00000 0.50000 0.00000 0.46200 ?
Rb 0.00000 0.50000 0.00000 0.27500 ?
Cs 0.00000 0.50000 0.00000 0.23300 ?
Mg1 0.00000 0.00000 0.50000 0.48000 ?
Fe1 0.00000 0.00000 0.50000 0.40000 ?
Li1 0.00000 0.00000 0.50000 0.12000 ?
Al2 0.00000 0.33310 0.50000 0.19000 ?
Ti2 0.00000 0.33310 0.50000 0.02000 ?
Mg2 0.00000 0.33310 0.50000 0.38000 ?
Fe2 0.00000 0.33310 0.50000 0.32000 ?
Li2 0.00000 0.33310 0.50000 0.09000 ?
Si 0.07850 0.16680 0.23280 0.73000 ?
Al 0.07850 0.16680 0.23280 0.27000 ?
H 0.11700 0.50000 0.30600 1.00000 0.01000
O1 0.04190 0.00000 0.17650 1.00000 ?
O2 0.31710 0.24110 0.17480 1.00000 ?
O3 0.13350 0.16840 0.39390 1.00000 ?
O4 0.12880 0.50000 0.40090 1.00000 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002225
