#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/02/9010295.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_9010295
loop_
_publ_author_name
'Brigatti, M. F.'
'Mottana, A.'
'Malferrari, D.'
'Cibin, G.'
_publ_section_title
;
 Crystal structure and chemical composition of Li-, Fe-, and Mn-rich micas
 Locality: Mokrusha mine, Yuzhakova village, Murzinka region, Russia
 Sample: Mokrusha
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1395
_journal_page_last               1400
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum
'Al1.68 Ca0.01 F1.9 Fe0.36 H0.1 K0.94 Li1.32 Mg0.16 Mn0.16 Na0.04 O10.1 Si3.32'
_chemical_name_mineral           Polylithionite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.78
_cell_angle_gamma                90
_cell_length_a                   5.297
_cell_length_b                   9.133
_cell_length_c                   10.168
_cell_volume                     483.222
_exptl_crystal_density_diffrn    2.862
_[local]_cod_chemical_formula_sum_orig
'Si3.32 Al1.68 Li1.32 Fe.36 Mn.16 Mg.16 K.94 Na.04 Ca.01 O10.1 (F1.9 H.1)'
_cod_database_code               9010295
_amcsd_database_code             AMCSD#0004416
loop_
_symmetry_equiv_pos_as_xyz
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
SiT1 0.00900 0.01000 0.02300 0.00400 0.00600 0.00100
AlT1 0.00900 0.01000 0.02300 0.00400 0.00600 0.00100
SiT11 0.01300 0.00800 0.01100 0.00300 0.00000 0.00200
AlT11 0.01300 0.00800 0.01100 0.00300 0.00000 0.00200
LiM1 0.01100 0.01000 0.02500 0.00000 0.00500 0.00000
FeM1 0.01100 0.01000 0.02500 0.00000 0.00500 0.00000
MnM1 0.01100 0.01000 0.02500 0.00000 0.00500 0.00000
MgM1 0.01100 0.01000 0.02500 0.00000 0.00500 0.00000
AlM2 0.00500 0.00900 0.02800 0.00000 0.00600 0.00000
LiM3 0.00800 0.00800 0.00800 0.00000 -0.00300 0.00000
FeM3 0.00800 0.00800 0.00800 0.00000 -0.00300 0.00000
MgM3 0.00800 0.00800 0.00800 0.00000 -0.00300 0.00000
KA 0.02800 0.02300 0.03500 0.00000 0.00300 0.00000
NaA 0.02800 0.02300 0.03500 0.00000 0.00300 0.00000
CaA 0.02800 0.02300 0.03500 0.00000 0.00300 0.00000
O1 0.02300 0.01800 0.02500 0.00500 0.00000 -0.01100
O2 0.02000 0.03700 0.02300 -0.00600 0.00500 -0.00800
O22 0.01900 0.02300 0.02300 0.00700 0.01000 -0.00300
O3 0.01800 0.02100 0.01000 0.00900 -0.00100 -0.00200
O33 0.02700 0.00800 0.02800 0.01000 0.00400 0.00200
OH4 0.01900 0.01700 0.02100 -0.00500 0.00200 -0.00100
F4 0.01900 0.01700 0.02100 -0.00500 0.00200 -0.00100
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
SiT1 0.07540 0.16930 0.22960 0.83000 0.01300
AlT1 0.07540 0.16930 0.22960 0.17000 0.01300
SiT11 0.58590 0.33320 0.22910 0.83000 0.01100
AlT11 0.58590 0.33320 0.22910 0.17000 0.01100
LiM1 0.00000 0.99200 0.50000 0.66000 0.01500
FeM1 0.00000 0.99200 0.50000 0.17000 0.01500
MnM1 0.00000 0.99200 0.50000 0.16000 0.01500
MgM1 0.00000 0.99200 0.50000 0.01000 0.01500
AlM2 0.00000 0.32260 0.50000 1.00000 0.01400
LiM3 0.50000 0.16200 0.50000 0.66000 0.00900
FeM3 0.50000 0.16200 0.50000 0.19000 0.00900
MgM3 0.50000 0.16200 0.50000 0.15000 0.00900
KA 0.00000 0.50100 0.00000 0.94000 0.02900
NaA 0.00000 0.50100 0.00000 0.04000 0.02900
CaA 0.00000 0.50100 0.00000 0.01000 0.02900
O1 0.03010 1.00260 0.17170 1.00000 0.02300
O2 0.32060 0.23700 0.16970 1.00000 0.02700
O22 0.81970 0.26350 0.16330 1.00000 0.02100
O3 0.12030 0.17700 0.39370 1.00000 0.01700
O33 0.66020 0.32880 0.39310 1.00000 0.02100
O-H4 0.11160 0.47490 0.40010 0.05000 0.01900
F4 0.11160 0.47490 0.40010 0.95000 0.01900