The material described by Ba2CaN2 crystallizes in the orthorhombic Pmmn space group. Ba(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to four equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of edge and corner-sharing NBa4Ca2 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. is represented by the CIF card [CIF]
data_Ba2CaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   6.027
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.042
_cell_formula_units_Z   2
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  0.228  0.250  0.936  1.0
  Ba  Ba1  1  0.228  0.250  0.564  1.0
  Ba  Ba2  1  0.772  0.750  0.064  1.0
  Ba  Ba3  1  0.772  0.750  0.436  1.0
  Ca  Ca4  1  0.229  0.250  0.250  1.0
  Ca  Ca5  1  0.771  0.750  0.750  1.0
  N  N6  1  0.709  0.250  0.403  1.0
  N  N7  1  0.709  0.250  0.097  1.0
  N  N8  1  0.291  0.750  0.597  1.0
  N  N9  1  0.291  0.750  0.903  1.0
[/CIF]
.
The material described by Ba2CaN2 crystallizes in the orthorhombic Pmmn space group. Ba(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to four equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of edge and corner-sharing NBa4Ca2 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. is represented by the CIF card [CIF]
data_Ba2CaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.672
_cell_length_b   6.027
_cell_length_c   11.434
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.042
_cell_formula_units_Z   2
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  0.228  0.250  0.936  1.0
  Ba  Ba1  1  0.228  0.250  0.564  1.0
  Ba  Ba2  1  0.772  0.750  0.064  1.0
  Ba  Ba3  1  0.772  0.750  0.436  1.0
  Ca  Ca4  1  0.229  0.250  0.250  1.0
  Ca  Ca5  1  0.771  0.750  0.750  1.0
  N  N6  1  0.709  0.250  0.403  1.0
  N  N7  1  0.709  0.250  0.097  1.0
  N  N8  1  0.291  0.750  0.597  1.0
  N  N9  1  0.291  0.750  0.903  1.0
[/CIF]
.