#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/24/9002411.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_9002411
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: 114
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1275
_journal_page_last               1286
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum
;Al1.504 F1.746 Fe0.455 H0.142 K0.906 Li1.423 Mn0.038 Na0.005 O10.254 Rb0.051
 Si3.536
;
_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                 100.72
_cell_angle_gamma                90
_cell_length_a                   5.262
_cell_length_b                   9.085
_cell_length_c                   10.099
_cell_volume                     474.360
_exptl_crystal_density_diffrn    2.902
_cod_original_formula_sum
;Si3.536 Al1.504 Li1.423 Fe.455 Mn.038 Na.005 Rb.051 K.906 O10.254 F1.746
 H.142
;
_cod_database_code               9002411
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 0.00823 0.00722 0.00899 -0.00038 0.00076 0.00000
AlT1 0.00823 0.00722 0.00899 -0.00038 0.00076 0.00000
SiT11 0.00722 0.00671 0.00760 -0.00025 0.00152 0.00063
AlT11 0.00722 0.00671 0.00760 -0.00025 0.00152 0.00063
LiM1 0.00937 0.00570 0.01178 0.00000 0.00317 0.00000
AlM1 0.00937 0.00570 0.01178 0.00000 0.00317 0.00000
FeM1 0.00937 0.00570 0.01178 0.00000 0.00317 0.00000
MnM1 0.00937 0.00570 0.01178 0.00000 0.00317 0.00000
LiM2 0.00519 0.00557 0.01089 0.00000 0.00076 0.00000
FeM2 0.00519 0.00557 0.01089 0.00000 0.00076 0.00000
LiM3 0.00988 0.00798 0.00823 0.00000 0.00127 0.00000
AlM3 0.00988 0.00798 0.00823 0.00000 0.00127 0.00000
NaA 0.02584 0.02368 0.02432 0.00000 0.00393 0.00000
RbA 0.02584 0.02368 0.02432 0.00000 0.00393 0.00000
KA 0.02584 0.02368 0.02432 0.00000 0.00393 0.00000
O1 0.02812 0.01114 0.01406 -0.00228 0.00063 0.00101
O2 0.01596 0.02102 0.01292 -0.00469 0.00139 0.00013
O22 0.01672 0.02546 0.01279 0.00773 0.00279 0.00241
O3 0.01001 0.01241 0.01153 0.00051 0.00190 0.00013
O33 0.01343 0.00874 0.00899 -0.00114 0.00177 0.00101
F4 0.00899 0.00621 0.00773 0.00089 0.00215 -0.00253
O4 0.00899 0.00621 0.00773 0.00089 0.00215 -0.00253
OH4 0.00899 0.00621 0.00773 0.00089 0.00215 -0.00253
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
SiT1 0.08590 0.17060 0.22947 0.88400
AlT1 0.08590 0.17060 0.22947 0.11600
SiT11 0.57600 0.33400 0.22972 0.88400
AlT11 0.57600 0.33400 0.22972 0.11600
LiM1 0.00000 0.01129 0.50000 0.61500
AlM1 0.00000 0.01129 0.50000 0.07400
FeM1 0.00000 0.01129 0.50000 0.23200
MnM1 0.00000 0.01129 0.50000 0.03800
LiM2 0.00000 0.34210 0.50000 0.77700
FeM2 0.00000 0.34210 0.50000 0.22300
LiM3 0.50000 0.18030 0.50000 0.03100
AlM3 0.50000 0.18030 0.50000 0.96600
NaA 0.00000 0.50160 0.00000 0.00500
RbA 0.00000 0.50160 0.00000 0.05100
KA 0.00000 0.50160 0.00000 0.90600
O1 0.04040 0.00320 0.17150 1.00000
O2 0.31390 0.24380 0.15960 1.00000
O22 0.82050 0.26220 0.17280 1.00000
O3 0.16210 0.17570 0.39250 1.00000
O33 0.61580 0.32830 0.39350 1.00000
F4 0.10980 0.53030 0.39860 0.87300
O4 0.10980 0.53030 0.39860 0.05600
O-H4 0.10980 0.53030 0.39860 0.07100