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#$Date: 2025-08-23 00:36:08 +0100 (Sat, 23 Aug 2025) $
#$Revision: 301880 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104130.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_8104130
loop_
_publ_author_name
'Platzer, G.F.'
'Krischner, H.'
_publ_section_title
;
 Die Kristallstruktur von Caesiumzinkazid Cs2 Zn (N3)4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              363
_journal_page_last               374
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Cs2 N12 Zn'
_chemical_name_systematic        'Cs2 (Zn (N3)4)'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.98
_cell_length_b                   6.79
_cell_length_c                   7.45
_cell_volume                     1111.869
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Platzer_ZEKGAX_1975_1905.cif
_cod_data_source_block           Cs2N12Zn1
_cod_original_formula_sum        'Cs2 N12 Zn1'
_cod_database_code               8104130
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-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
N1 N 0.104 0.63 0.623 1 0.0
Zn1 Zn+2 0.1312 0.9262 0.6177 1 0.0
N5 N 0.229 0.818 0.814 1 0.0
N12 N 0.054 0.246 0.982 1 0.0
N8 N 0.109 0.821 0.273 1 0.0
N10 N 0.058 0.056 0.72 1 0.0
N2 N 0.137 0.495 0.621 1 0.0
N4 N 0.206 0.964 0.768 1 0.0
Cs2 Cs+1 0.0151 0.3233 0.3905 1 0.0
N11 N 0.056 0.151 0.851 1 0.0
N6 N 0.253 0.672 0.86 1 0.0
N9 N 0.096 0.677 0.196 1 0.0
N3 N 0.17 0.36 0.619 1 0.0
Cs1 Cs+1 0.1945 0.305 0.1133 1 0.0
N7 N 0.122 0.965 0.35 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168344264