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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/1/52/10/1521010.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_1521010
loop_
_publ_author_name
'Figueroa, E.'
'Leman, J.T.'
'Evans, W.J.'
'Ziller, J.W.'
'Lawrence, J.M.'
'Thompson, J.D.'
_publ_section_title
;
 Crystal growth and physical characterisation of Na Ba V S4 obtained from
 sodium polysulfide flux
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              773
_journal_page_last               778
_journal_volume                  61
_journal_year                    2000
_chemical_formula_sum            'Ba Na S4 V'
_chemical_name_systematic        'Na Ba V S4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.149
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4163
_cell_length_b                   9.4798
_cell_length_c                   11.667
_cell_volume                     693.755
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Figueroa_JPCSAW_2000_1634.cif
_cod_data_source_block           Ba1Na1S4V1
_cod_original_cell_volume        693.7545
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ba1 Na1 S4 V1'
_cod_database_code               1521010
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
S4 S-2 -0.0121 0.6716 0.7668 1 0.0
S1 S-2 0.0497 0.069 0.837 1 0.0
Na2 Na+1 0.7566 0.6153 0.5247 0.5 0.0
Ba1 Ba+2 0.2221 0.385 0.8441 1 0.0
V1 V+5 0.8041 0.1192 0.6846 1 0.0
Na1 Na+1 0.6995 0.6506 0.4994 0.5 0.0
S3 S-2 0.7463 0.4349 0.9232 1 0.0
S2 S-2 -0.0887 0.2917 0.5912 1 0.0
