#------------------------------------------------------------------------------
#$Date: 2025-10-06 14:32:12 +0200 (Mon, 06 Oct 2025) $
#$Revision: 302807 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/74/1537492.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_1537492
loop_
_publ_author_name
'Juza, R.'
'Friedrichsen, H.'
_publ_section_title
;
 Die Kristallstruktur von \b-ZrNCl und \b-ZrNBr
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              173
_journal_page_last               178
_journal_paper_doi               10.1002/zaac.19643320308
_journal_volume                  332
_journal_year                    1964
_chemical_formula_sum            'Cl N Zr'
_chemical_name_systematic        'Zr N Cl'
_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            2
_cell_length_a                   2.081
_cell_length_b                   2.081
_cell_length_c                   9.234
_cell_volume                     34.631
_cod_data_source_file            Juza_ZAACAB_1964_768.cif
_cod_data_source_block           Cl1N1Zr1
_cod_original_cell_volume        34.63097
_cod_original_formula_sum        'Cl1 N1 Zr1'
_cod_database_code               1537492
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
N1 N-3 0.3333 0.6666 0.1 1 0.0
Zr1 Zr+4 0 0 0.147 1 0.0
Cl1 Cl-1 0.6666 0.3333 0.332 1 0.0
