The material structure described by Ba2RuN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. Ru(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Ru(1) atom to form a mixture of corner and edge-sharing NBa5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   4.199
_cell_length_c   7.245
_cell_angle_alpha   106.844
_cell_angle_beta   106.851
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.554
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.861  0.861  0.222  1.0
  Ba  Ba1  1  0.139  0.139  0.778  1.0
  Ru  Ru2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.362  0.362  0.224  1.0
  N  N4  1  0.638  0.638  0.776  1.0
[/CIF]
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The material structure described by Ba2RuN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. Ru(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Ru(1) atom to form a mixture of corner and edge-sharing NBa5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   4.199
_cell_length_c   7.245
_cell_angle_alpha   106.844
_cell_angle_beta   106.851
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.554
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.861  0.861  0.222  1.0
  Ba  Ba1  1  0.139  0.139  0.778  1.0
  Ru  Ru2  1  0.500  0.500  0.500  1.0
  N  N3  1  0.362  0.362  0.224  1.0
  N  N4  1  0.638  0.638  0.776  1.0
[/CIF]
.