#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124522.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_4124522
loop_
_publ_author_name
'Stoltz, C.'
'Ramesha, K.'
'Sirchio, S.A.'
'Gonen, Z.S.'
'Eichhorn, B.W.'
'Salamanca-Riba, L.'
'Gopalakrishnan, J.'
_publ_section_title
;
 Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S
 and A Cl derivatives (A = Na, K, Rb)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4285
_journal_page_last               4292
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'N2 S Zr2'
_chemical_name_systematic        'Zr2 N2 S'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.605
_cell_length_b                   3.605
_cell_length_c                   6.412
_cell_volume                     72.166
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Stoltz_JACSAT_2003_1866.cif
_cod_data_source_block           N2S1Zr2
_cod_original_cell_volume        72.16634
_cod_original_formula_sum        'N2 S1 Zr2'
_cod_database_code               4124522
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
_atom_site_U_iso_or_equiv
Zr1 Zr+4 0.6667 0.3333 0.2793 1 0.0
S1 S-2 0 0 0 1 0.0
N1 N-3 0.6667 0.3333 0.6287 1 0.0
