#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/59/1535959.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_1535959
loop_
_publ_author_name
'Jacobs, H.'
'Hadenfeldt, C.'
_publ_section_title
;
 Die Kristallstruktur von Bariumamid, Ba (N H2)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              132
_journal_page_last               140
_journal_volume                  418
_journal_year                    1975
_chemical_formula_sum            'Ba H4 N2'
_chemical_name_systematic        'Ba (N H2)2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.5
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.951
_cell_length_b                   12.67
_cell_length_c                   7.037
_cell_volume                     665.491
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jacobs_ZAACAB_1975_1925.cif
_cod_data_source_block           H4Ba1N2
_cod_original_cell_volume        665.4912
_cod_original_formula_sum        'H4 Ba1 N2'
_cod_database_code               1535959
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,z+1/2
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
N1 N-3 0.021 0.4943 0.245 1 0.0 2
Ba1 Ba+2 0 0.6867 0 1 0.0 0
N2 N-3 0.377 0.3039 0.603 1 0.0 2
Ba2 Ba+2 0.25735 0.10778 0.3484 1 0.0 0
N4 N-3 0.217 0.2618 0.013 1 0.0 2
N3 N-3 0.114 0.085 0.624 1 0.0 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047185
