#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9010294.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_9010294
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: Hirukawa mine, Ena county, Gifu prefecture, Chibu region, Japan
 Sample: Hirukawa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1395
_journal_page_last               1400
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum
'Al1.56 F1.88 Fe0.38 H0.12 K0.95 Li1.44 Mg0.01 Mn0.17 Na0.05 O10.12 Si3.44'
_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                 100.719
_cell_angle_gamma                90
_cell_length_a                   5.264
_cell_length_b                   9.086
_cell_length_c                   10.099
_cell_volume                     474.594
_exptl_crystal_density_diffrn    2.908
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_4415'
_[local]_cod_chemical_formula_sum_orig
'Si3.44 Al1.56 Li1.44 Fe.38 Mn.17 Mg.01 (K.95 Na.05) O10.12 (F1.88 H.12)'
_cod_database_code               9010294
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
SiT1 0.07490 0.16980 0.22900 0.86000 0.01200
AlT1 0.07490 0.16980 0.22900 0.14000 0.01200
SiT11 0.58620 0.33310 0.22990 0.86000 0.01000
AlT11 0.58620 0.33310 0.22990 0.14000 0.01000
LiM1 0.00000 0.99290 0.50000 0.72000 0.01200
FeM1 0.00000 0.99290 0.50000 0.19000 0.01200
MnM1 0.00000 0.99290 0.50000 0.08000 0.01200
MgM1 0.00000 0.99290 0.50000 0.01000 0.01200
AlM2 0.00000 0.32340 0.50000 1.00000 0.01000
LiM3 0.50000 0.16130 0.50000 0.72000 0.01200
FeM3 0.50000 0.16130 0.50000 0.19000 0.01200
MnM3 0.50000 0.16130 0.50000 0.09000 0.01200
KA 0.00000 0.50200 0.00000 0.95000 0.02800
NaA 0.00000 0.50200 0.00000 0.05000 0.02800
O1 0.04050 1.00260 0.17100 1.00000 0.02200
O2 0.31600 0.24220 0.16930 1.00000 0.02500
O22 0.81830 0.25920 0.16270 1.00000 0.02100
O3 0.11730 0.17600 0.39210 1.00000 0.01400
O33 0.66180 0.32700 0.39300 1.00000 0.01800
O-H4 0.10900 0.47150 0.39870 0.06000 0.01800
F4 0.10900 0.47150 0.39870 0.94000 0.01800
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 0.01200 0.00300 0.01900 0.00000 0.00200 -0.00200
AlT1 0.01200 0.00300 0.01900 0.00000 0.00200 -0.00200
SiT11 0.00800 0.00700 0.01700 0.00100 0.00400 -0.00100
AlT11 0.00800 0.00700 0.01700 0.00100 0.00400 -0.00100
LiM1 0.01200 0.00700 0.02000 0.00000 0.00800 0.00000
FeM1 0.01200 0.00700 0.02000 0.00000 0.00800 0.00000
MnM1 0.01200 0.00700 0.02000 0.00000 0.00800 0.00000
MgM1 0.01200 0.00700 0.02000 0.00000 0.00800 0.00000
AlM2 0.01000 0.00900 0.01400 0.00000 0.00700 0.00000
LiM3 0.00800 0.00500 0.02200 0.00000 -0.00300 0.00000
FeM3 0.00800 0.00500 0.02200 0.00000 -0.00300 0.00000
MnM3 0.00800 0.00500 0.02200 0.00000 -0.00300 0.00000
KA 0.02700 0.02200 0.03400 0.00000 0.00800 0.00000
NaA 0.02700 0.02200 0.03400 0.00000 0.00800 0.00000
O1 0.03000 0.01100 0.02400 0.00200 0.00200 -0.00600
O2 0.01900 0.03000 0.02600 -0.00300 0.00200 -0.00300
O22 0.01500 0.02100 0.02700 0.00400 0.00900 -0.00300
O3 0.01200 0.01300 0.01700 -0.00100 0.00000 -0.00400
O33 0.01500 0.01100 0.02600 0.00000 0.00300 -0.00200
OH4 0.02400 0.00800 0.02300 -0.00400 0.00700 0.00000
F4 0.02400 0.00800 0.02300 -0.00400 0.00700 0.00000