#------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/47/2004796.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_2004796
loop_
_publ_author_name
'Yamane, H.'
'DiSalvo, F. J.'
_publ_section_title
;
 Ba₃Ga₂N₄
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   4
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              760
_journal_page_last               761
_journal_paper_doi               10.1107/S0108270195015915}
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba3 Ga2 N4'
_chemical_formula_weight         607.50
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2010(12)
_cell_length_b                   10.511(2)
_cell_length_c                   10.070(2)
_cell_measurement_temperature    293(2)
_cell_volume                     656.3(2)
_exptl_crystal_density_diffrn    6.148
_cod_database_code               2004796
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x, y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba1 1 .11102(7) .34415(3) .91335(4) .00913(13)
Ba2 1 .2500 .0 .90519(6) .01121(15)
Ga1 1 .2500 .0 .22957(10) .0059(2)
Ga2 1 .1636(2) .2500 .2500 .0060(2)
N1 1 .3612(10) .1467(5) .1281(6) .0095(11)
N2 1 .0176(10) .0955(5) .3294(6) .0100(11)
loop_
_atom_type_symbol
_atom_type_scat_source
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
N 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' .0061 .0033
Ga 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' .2307 1.6083
Ba 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' -0.3244 2.2819
_cod_duplicate_entry 1005032
