#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/03/2200303.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_2200303
loop_
_publ_author_name
'Bolte, Michael'
'Lerner, Hans-Wolfram'
_publ_section_title
;
Lithium triflate
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m231
_journal_page_last               m232
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Li 1+, C1 F3 S1 O3 1-'
_chemical_formula_moiety         'Li 1+, C1 F3 S1 O3 1-'
_chemical_formula_sum            'C F3 Li O3 S'
_chemical_formula_weight         156.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.370(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0994(6)
_cell_length_b                   5.0410(2)
_cell_length_c                   9.5320(6)
_cell_measurement_temperature    173(2)
_cell_volume                     485.27(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.135
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2200303
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
S1 .82387(4) .39249(8) .09187(4) .01597(15) Uani d . 1 . . S
C1 .66103(17) .2386(4) .1016(2) .0247(4) Uani d . 1 . . C
Li1 1.1010(3) .1123(6) .0906(3) .0212(6) Uani d . 1 . . Li
F1 .57236(12) .4162(3) .13686(15) .0466(4) Uani d . 1 . . F
F2 .62774(11) .1362(3) -.02208(13) .0376(3) Uani d . 1 . . F
F3 .66341(12) .0468(3) .19553(13) .0404(4) Uani d . 1 . . F
O1 .85216(14) .4918(3) .22993(14) .0306(3) Uani d . 1 . . O
O2 .90882(11) .1728(3) .05312(13) .0208(3) Uani d . 1 . . O
O3 .80845(13) .5895(3) -.01570(14) .0252(3) Uani d . 1 . . O
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
S1 .0160(2) .0157(2) .0162(2) -.00001(15) .00001(15) -.00175(17)
C1 .0188(8) .0307(11) .0247(10) .0004(8) .0046(7) .0032(8)
Li1 .0241(14) .0213(16) .0184(14) -.0011(12) -.0013(11) .0020(13)
F1 .0242(6) .0514(9) .0644(10) .0118(6) .0148(6) -.0015(7)
F2 .0294(6) .0488(8) .0347(7) -.0179(6) -.0045(5) -.0039(6)
F3 .0386(7) .0426(8) .0401(8) -.0087(6) .0110(5) .0176(6)
O1 .0358(7) .0349(8) .0211(7) .0033(6) -.0037(5) -.0114(6)
O2 .0175(6) .0188(7) .0262(7) .0019(5) .0011(5) -.0056(5)
O3 .0265(7) .0207(7) .0285(7) -.0042(5) -.0016(5) .0065(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
S1 O1 . 1.4351(13) y
S1 O3 . 1.4351(13) y
S1 O2 . 1.4500(13) y
S1 C1 . 1.8212(18) y
C1 F1 . 1.311(2) y
C1 F3 . 1.318(2) y
C1 F2 . 1.328(2) y
Li1 O1 2_745 1.873(3) ?
Li1 O3 3_765 1.901(3) ?
Li1 O2 3_755 1.988(3) ?
Li1 O2 . 1.995(3) y
Li1 Li1 3_755 2.895(6) ?
O1 Li1 2_755 1.873(3) ?
O2 Li1 3_755 1.988(3) ?
O3 Li1 3_765 1.901(3) ?