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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/90/1509073.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_1509073
loop_
_publ_author_name
'van Bolhuis, F.'
'Wiegers, G.A.'
'Haange, R.J.'
_publ_section_title
;
 The crystal structure of stage-2 4H- Ag0.22 Nb S2.
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              817
_journal_page_last               824
_journal_paper_doi               10.1002/pssa.2211070237
_journal_volume                  107
_journal_year                    1988
_chemical_formula_sum            'Ag0.22 Nb S2'
_chemical_name_systematic        'Silver niobium sulfide (.22/1/2)'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   3.334
_cell_length_b                   3.334
_cell_length_c                   26.09
_cell_volume                     251.152
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            silver0-1_32.cif
_cod_data_source_block           Ag0.22Nb1S2
_cod_original_cell_volume        251.1516
_cod_original_formula_sum        'Ag0.22 Nb1 S2'
_cod_database_code               1509073
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag1 Ag+1 0.3333 0.6667 0.1364 0.43
S1 S-2 0 0 0.0563 1
Nb1 Nb+3 0.3333 0.6667 0 1
S3 S-2 0.6667 0.3333 0.3284 1
Nb2 Nb+3 0.3333 0.6667 0.2718 1
S2 S-2 0.6667 0.3333 0.21 1
S4 S-2 0 0 0.4377 1
