data_global
_amcsd_formula_title 'Ba3 Ge2 N2'
loop_
_publ_author_name
'Yamane H'
'DiSalvo F'
_journal_name_full 'Journal of Alloys and Compounds'
_journal_volume 241 
_journal_year 1996
_journal_page_first 69
_journal_page_last 74
_publ_section_title
;
 A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-)
 and (Ge N2)(4-) anions
 _cod_database_code 1005031
;
_database_code_amcsd 0012781
_chemical_formula_sum 'Ba3 N2 Ge2'
_cell_length_a 9.6196
_cell_length_b 4.0466
_cell_length_c 10.1337
_cell_angle_alpha 90
_cell_angle_beta 113.553
_cell_angle_gamma 90
_cell_volume 361.608
_exptl_crystal_density_diffrn      5.375
_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   0.02870   0.25000   0.17390
N1   0.07150   0.25000   0.67640
N2   0.18300   0.25000   0.00030
Ge1   0.24680   0.25000   0.84720
Ge2   0.42180   0.25000   0.44550
Ba2   0.61430   0.25000   0.85580
Ba3   0.81230   0.25000   0.44160
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 0.00900 0.01100 0.01000 0.00000 0.00300 0.00000
N1 0.02100 0.01100 0.01100 0.00000 0.00900 0.00000
N2 0.01100 0.01300 0.00800 0.00000 0.00400 0.00000
Ge1 0.00700 0.01500 0.00700 0.00000 0.00100 0.00000
Ge2 0.01100 0.01000 0.01300 0.00000 0.00200 0.00000
Ba2 0.00900 0.01200 0.01000 0.00000 0.00100 0.00000
Ba3 0.00800 0.01100 0.00900 0.00000 0.00200 0.00000