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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535630.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_1535630
loop_
_publ_author_name
'Huang, F.Q.'
'Deng, B.'
'Ibers, J.A.'
_publ_section_title
;
 Syntheses and structures of six compounds in the A2 Li M S4 (A = K, Rb,
 Cs; M = V, Nb, Ta) family
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              194
_journal_page_last               199
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'K2 Li S4 V'
_chemical_name_systematic        'K2 Li V S4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.7478
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.4788
_cell_length_b                   8.425
_cell_length_c                   17.9897
_cell_volume                     1582.751
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Huang_JSSCBI_2005_1683.cif
_cod_data_source_block           K2Li1S4V1
_cod_original_formula_sum        'K2 Li1 S4 V1'
_cod_database_code               1535630
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S3 S-2 0.26447 0.33166 0.41133 1 0.0
S2 S-2 0.19478 0.0194 0.25737 1 0.0
K3 K+1 0 0.31953 0.25 1 0.0
Li1 Li+1 0.3551 0.2419 0.284 1 0.0
K1 K+1 0.36998 0.47465 0.07276 1 0.0
S1 S-2 0.11684 0.2193 0.08643 1 0.0
S4 S-2 0.43817 0.14701 0.15235 1 0.0
V1 V+5 0.24501 0.05497 0.14467 1 0.0
K2 K+1 0.5169 0.0178 0.0038 0.5 0.0
