#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/52/9005200.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_9005200
loop_
_publ_author_name
'Amisano-Canesi A'
'Chiari, G.'
'Ferraris, G.'
'Ivaldi, G.'
'Soboleva, S. V.'
_publ_section_title
;
 Muscovite- and phengite-3T: crystal structure and conditions of formation
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              489
_journal_page_last               496
_journal_volume                  6
_journal_year                    1994
_chemical_compound_source        Kazakhstan
_chemical_formula_sum
'Al2.2 Fe0.25 H2 K0.93 Mg0.21 Na0.03 O12 Si3.3 Ti0.04'
_chemical_name_mineral           Muscovite-3T
_space_group_IT_number           151
_symmetry_space_group_name_Hall  'P 31 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 31 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.212
_cell_length_b                   5.212
_cell_length_c                   29.804
_cell_formula_units_Z            3
_cell_volume                     701.155
_database_code_amcsd             0006546
_exptl_crystal_density_diffrn    2.871
_cod_original_formula_sum
'K.93 Na.03 Al2.2 Fe.25 Mg.21 Ti.04 Si3.3 O12 H2'
_cod_database_code               9005200
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,y,1/3-z
-y,x-y,1/3+z
-y,-x,2/3-z
-x+y,-x,2/3+z
x,x-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 0.12850 0.25700 0.16667 0.93000 0.02660
Na 0.12850 0.25700 0.16667 0.03000 0.02660
AlM2 0.79660 0.89830 0.00000 1.00000 0.00690
AlM3 0.45700 0.22850 0.00000 0.50000 0.00570
FeM3 0.45700 0.22850 0.00000 0.25000 0.00570
MgM3 0.45700 0.22850 0.00000 0.21000 0.00570
TiM3 0.45700 0.22850 0.00000 0.04000 0.00570
SiT1 0.78610 0.58130 0.09046 0.82800 0.00890
AlT1 0.78610 0.58130 0.09046 0.17200 0.00890
SiT2 0.46890 0.92190 0.09055 0.82200 0.00870
AlT2 0.46890 0.92190 0.09055 0.17800 0.00870
O1 0.74910 0.56830 0.03590 1.00000 0.01400
O2 0.50420 0.94220 0.03590 1.00000 0.01400
O3 0.66240 0.78570 0.11309 1.00000 0.01700
O4 0.12800 0.70840 0.10697 1.00000 0.01900
O5 0.59200 0.25200 0.11260 1.00000 0.01800
O6 0.12590 0.19120 0.03462 1.00000 0.01600
H 0.01400 0.29100 0.04200 1.00000 0.03000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006546
