#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002412.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9002412
loop_
_publ_author_name
'Brigatti M F'
'Lugli C'
'Poppi L'
'Foord E E'
'Kile D E'
_publ_section_title
;
 Crystal chemical variations in Li- and Fe-rich micas from
 Pikes Peak batholith (central Colorado)
 Sample: 55a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1275
_journal_page_last               1286
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
'Si3.412 Al1.7 Li1.129 Fe.589 Mg.007 Mn.038 Na.002 Rb.006 K.94 O10.374 F1.626 H2'
_chemical_name_mineral           Polylithionite
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.70
_cell_angle_gamma                90
_cell_length_a                   5.270
_cell_length_b                   9.092
_cell_length_c                   10.080
_cell_volume                     474.584
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
SiT1 0.07570 0.16870 0.22890 0.85300
AlT1 0.07570 0.16870 0.22890 0.14700
SiT11 0.58540 0.33220 0.22870 0.85300
AlT11 0.58540 0.33220 0.22870 0.14700
LiM1 0.00000 0.99200 0.50000 0.41200
AlM1 0.00000 0.99200 0.50000 0.12300
FeM1 0.00000 0.99200 0.50000 0.34000
LiM2 0.00000 0.32270 0.50000 0.01100
AlM2 0.00000 0.32270 0.50000 0.98900
LiM3 0.50000 0.16120 0.50000 0.70600
MgM3 0.50000 0.16120 0.50000 0.00700
FeM3 0.50000 0.16120 0.50000 0.24900
MnM3 0.50000 0.16120 0.50000 0.03800
NaA 0.00000 0.50145 0.00000 0.00200
RbA 0.00000 0.50145 0.00000 0.00600
KA 0.00000 0.50145 0.00000 0.94000
O1 0.03940 0.99990 0.17130 1.00000
O2 0.32100 0.23960 0.17240 1.00000
O22 0.81410 0.25950 0.15890 1.00000
O3 0.11570 0.17340 0.39360 1.00000
O33m 0.66160 0.32640 0.39230 1.00000
F4 0.10930 0.47190 0.39800 0.81300
O4 0.10930 0.47190 0.39800 0.08400
O-H4 0.10930 0.47190 0.39800 0.10300
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 0.00747 0.00760 0.00823 0.00025 0.00139 -0.00051
AlT1 0.00747 0.00760 0.00823 0.00025 0.00139 -0.00051
SiT11 0.00874 0.00773 0.00887 0.00038 0.00076 -0.00026
AlT11 0.00874 0.00773 0.00887 0.00038 0.00076 -0.00026
LiM1 0.00975 0.00747 0.01241 0.00000 0.00279 0.00000
AlM1 0.00975 0.00747 0.01241 0.00000 0.00279 0.00000
FeM1 0.00975 0.00747 0.01241 0.00000 0.00279 0.00000
LiM2 0.00836 0.00925 0.00684 0.00000 0.00025 0.00000
AlM2 0.00836 0.00925 0.00684 0.00000 0.00025 0.00000
LiM3 0.00608 0.00848 0.01140 0.00000 0.00000 0.00000
MgM3 0.00608 0.00848 0.01140 0.00000 0.00000 0.00000
FeM3 0.00608 0.00848 0.01140 0.00000 0.00000 0.00000
MnM3 0.00608 0.00848 0.01140 0.00000 0.00000 0.00000
NaA 0.02596 0.02495 0.02508 0.00000 0.00367 0.00000
RbA 0.02596 0.02495 0.02508 0.00000 0.00367 0.00000
KA 0.02596 0.02495 0.02508 0.00000 0.00367 0.00000
O1 0.02913 0.01520 0.01520 0.00127 -0.00038 -0.00253
O2 0.01773 0.02786 0.01266 -0.00760 0.00228 -0.00228
O22 0.01773 0.02280 0.01266 0.00621 0.00076 0.00051
O3 0.01393 0.01266 0.01140 0.00089 0.00076 -0.00127
O33m 0.01178 0.01495 0.01140 0.00101 0.00215 -0.00026
F4 0.00747 0.00696 0.00659 -0.00139 0.00127 0.00190
O4 0.00747 0.00696 0.00659 -0.00139 0.00127 0.00190
OH4 0.00747 0.00696 0.00659 -0.00139 0.00127 0.00190