#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535327.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_1535327
loop_
_publ_author_name
'Hirt, H.'
'Deiseroth, H.J.'
_publ_section_title
;
 The new polar intermetallic compound Na Ba Bi
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1357
_journal_page_last               1359
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Ba Bi Na'
_chemical_name_systematic        'Na Ba Bi'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.591
_cell_length_b                   8.591
_cell_length_c                   5.091
_cell_volume                     325.403
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hirt_ZAACAB_2004_1459.cif
_cod_data_source_block           Ba1Bi1Na1
_cod_original_cell_volume        325.4027
_cod_original_formula_sum        'Ba1 Bi1 Na1'
_cod_database_code               1535327
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+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
Ba1 Ba+2 1.4195 0 0 1 0.0
Bi2 Bi-3 1 0 0 1 0.0
Na1 Na+1 1.241 0.241 -0.5 1 0.0
Bi1 Bi-3 0.6667 0.3333 0.5 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047069
