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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/95/1539572.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_1539572
loop_
_publ_author_name
'van den Berg, J.M.'
'de Vries, R.'
_publ_section_title
;
 The crystal structure of K3 V S4
;
_journal_name_full
;
Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical 
Sciences: Proceedings
;
_journal_page_first              178
_journal_page_last               180
_journal_volume                  67
_journal_year                    1964
_chemical_formula_sum            'K3 S4 V'
_chemical_name_systematic        'K3 V S4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.143
_cell_length_b                   10.59
_cell_length_c                   9.107
_cell_volume                     881.780
_citation_journal_id_ASTM        KNWBAA
_cod_data_source_file            vandenBerg_KNWBAA_1964_380.cif
_cod_data_source_block           K3S4V1
_cod_original_cell_volume        881.7795
_cod_original_formula_sum        'K3 S4 V1'
_cod_database_code               1539572
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
V1 V+5 0.215 0.25 0.985 1 0.0
K1 K+1 0.05 0.958 0.207 1 0.0
S2 S-2 0 0.25 0.076 1 0.0
S3 S-2 0.203 0.25 0.753 1 0.0
K2 K+1 0.143 0.25 0.412 1 0.0
S1 S-2 0.331 0.094 0.051 1 0.0
