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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004796.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
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     760
_journal_page_last     761
_publ_section_title
;
Ba~3~Ga~2~N~4~
;
_chemical_formula_sum     'Ba3 Ga2 N4'
_chemical_formula_weight     607.50
_symmetry_cell_setting    'orthorhombic'
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'
_symmetry_space_group_name_H-M     'P n n a'
_cell_length_a     6.2010(12)
_cell_length_b     10.511(2)
_cell_length_c     10.070(2)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     656.3(2)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     6.148
_cell_measurement_temperature     293(2)
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
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)
_cod_database_code 2004796