data_global
_amcsd_formula_title 'Ba2 Ga Ge N'
loop_
_publ_author_name
'Clarke S'
'DiSalvo F'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 259 
_journal_year 1997
_journal_page_first 158
_journal_page_last 162
_publ_section_title
;
 Synthesis and structure of the subnitrides Ba2GeGaN and
 (Bax Sr1-x)3Ge2N2; x = 0.7
 _cod_database_code 1005040
;
_database_code_amcsd 0012795
_chemical_formula_sum 'Ba2 Ge Ga N'
_cell_length_a 7.249
_cell_length_b 4.210
_cell_length_c 9.314
_cell_angle_alpha 90
_cell_angle_beta 108.87
_cell_angle_gamma 90
_cell_volume 268.970
_exptl_crystal_density_diffrn      5.322
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.79620   0.25000   0.03840
Ba2   0.81080   0.25000   0.61730
Ge1   0.34030   0.25000   0.70340
Ga1   0.46090   0.25000   0.24640
N1   0.18500   0.25000   0.17400
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ba1 0.00860 0.01000 0.01160 0.00000 -0.00080 0.00000
Ba2 0.01220 0.00900 0.01210 0.00000 0.00050 0.00000
Ge1 0.01200 0.00700 0.01600 0.00000 0.00000 0.00000
Ga1 0.00900 0.00700 0.01100 0.00000 -0.00100 0.00000