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#$Date: 2025-08-22 18:52:37 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/13/7221363.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_7221363
loop_
_publ_author_name
'Mueller, A.'
'Krebs, B.'
'Beyer, H.'
_publ_section_title
;
 Die Kristallstruktur von Ammoniumtetraselenowolframat
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              1537
_journal_page_last               1538
_journal_volume                  23
_journal_year                    1968
_chemical_formula_sum            'H8 N2 Se4 W'
_chemical_name_systematic        '(N H4)2 W Se4'
_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                   9.96
_cell_length_b                   7.29
_cell_length_c                   12.7
_cell_volume                     922.127
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Mueller_ZENBAX_1968_1586.cif
_cod_data_source_block           H8N2Se4W1
_cod_original_cell_volume        922.1266
_cod_original_formula_sum        'H8 N2 Se4 W1'
_cod_database_code               7221363
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
_atom_site_attached_hydrogens
W1 W+6 0.2525 0.25 0.071 1 0.0 0
Se1 Se-2 0.3553 -0.0064 0.1419 1 0.0 0
N1 N-3 0.179 0.25 0.396 1 0.0 4
N2 N-3 -0.047 0.25 0.845 1 0.0 4
Se3 Se-2 0.0252 0.25 0.1135 1 0.0 0
Se2 Se-2 0.2856 0.25 -0.1092 1 0.0 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139200566
