The structure described by Na14Ba14CaN6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(2) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent Ba(1) atoms. In the second Na site, Na(1) is bonded in a 12-coordinate geometry to three equivalent Na(1), three equivalent Na(2), three equivalent Ba(1), and three equivalent Ba(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a single-bond geometry to four equivalent Na(1) and one N(1) atom. Ca(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded to one Ba(2), four equivalent Ba(1), and one Ca(1) atom to form a mixture of distorted corner and face-sharing NBa5Ca octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba14Na14CaN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.674
_cell_length_b   12.674
_cell_length_c   12.674
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1439.655
_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  0.894  0.894  0.894  1.0
  Ba  Ba1  1  0.682  0.106  0.106  1.0
  Ba  Ba2  1  0.106  0.106  0.682  1.0
  Ba  Ba3  1  0.106  0.682  0.106  1.0
  Ba  Ba4  1  0.894  0.894  0.318  1.0
  Ba  Ba5  1  0.894  0.318  0.894  1.0
  Ba  Ba6  1  0.318  0.894  0.894  1.0
  Ba  Ba7  1  0.106  0.106  0.106  1.0
  Ba  Ba8  1  0.286  0.714  0.286  1.0
  Ba  Ba9  1  0.714  0.714  0.286  1.0
  Ba  Ba10  1  0.286  0.286  0.714  1.0
  Ba  Ba11  1  0.286  0.714  0.714  1.0
  Ba  Ba12  1  0.714  0.286  0.286  1.0
  Ba  Ba13  1  0.714  0.286  0.714  1.0
  Na  Na14  1  0.671  0.671  0.671  1.0
  Na  Na15  1  0.014  0.329  0.329  1.0
  Na  Na16  1  0.329  0.329  0.014  1.0
  Na  Na17  1  0.329  0.014  0.329  1.0
  Na  Na18  1  0.671  0.671  0.986  1.0
  Na  Na19  1  0.671  0.986  0.671  1.0
  Na  Na20  1  0.986  0.671  0.671  1.0
  Na  Na21  1  0.329  0.329  0.329  1.0
  Na  Na22  1  0.500  0.000  0.000  1.0
  Na  Na23  1  0.000  0.500  0.500  1.0
  Na  Na24  1  0.000  0.500  0.000  1.0
  Na  Na25  1  0.500  0.000  0.500  1.0
  Na  Na26  1  0.500  0.500  0.000  1.0
  Na  Na27  1  0.000  0.000  0.500  1.0
  Ca  Ca28  1  0.000  0.000  0.000  1.0
  N  N29  1  0.144  0.856  0.144  1.0
  N  N30  1  0.856  0.856  0.144  1.0
  N  N31  1  0.144  0.144  0.856  1.0
  N  N32  1  0.144  0.856  0.856  1.0
  N  N33  1  0.856  0.144  0.144  1.0
  N  N34  1  0.856  0.144  0.856  1.0
[/CIF]
.
The structure described by Na14Ba14CaN6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Na sites. In the first Na site, Na(2) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent Ba(1) atoms. In the second Na site, Na(1) is bonded in a 12-coordinate geometry to three equivalent Na(1), three equivalent Na(2), three equivalent Ba(1), and three equivalent Ba(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and three equivalent N(1) atoms. In the second Ba site, Ba(2) is bonded in a single-bond geometry to four equivalent Na(1) and one N(1) atom. Ca(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded to one Ba(2), four equivalent Ba(1), and one Ca(1) atom to form a mixture of distorted corner and face-sharing NBa5Ca octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ba14Na14CaN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.674
_cell_length_b   12.674
_cell_length_c   12.674
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1439.655
_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  0.894  0.894  0.894  1.0
  Ba  Ba1  1  0.682  0.106  0.106  1.0
  Ba  Ba2  1  0.106  0.106  0.682  1.0
  Ba  Ba3  1  0.106  0.682  0.106  1.0
  Ba  Ba4  1  0.894  0.894  0.318  1.0
  Ba  Ba5  1  0.894  0.318  0.894  1.0
  Ba  Ba6  1  0.318  0.894  0.894  1.0
  Ba  Ba7  1  0.106  0.106  0.106  1.0
  Ba  Ba8  1  0.286  0.714  0.286  1.0
  Ba  Ba9  1  0.714  0.714  0.286  1.0
  Ba  Ba10  1  0.286  0.286  0.714  1.0
  Ba  Ba11  1  0.286  0.714  0.714  1.0
  Ba  Ba12  1  0.714  0.286  0.286  1.0
  Ba  Ba13  1  0.714  0.286  0.714  1.0
  Na  Na14  1  0.671  0.671  0.671  1.0
  Na  Na15  1  0.014  0.329  0.329  1.0
  Na  Na16  1  0.329  0.329  0.014  1.0
  Na  Na17  1  0.329  0.014  0.329  1.0
  Na  Na18  1  0.671  0.671  0.986  1.0
  Na  Na19  1  0.671  0.986  0.671  1.0
  Na  Na20  1  0.986  0.671  0.671  1.0
  Na  Na21  1  0.329  0.329  0.329  1.0
  Na  Na22  1  0.500  0.000  0.000  1.0
  Na  Na23  1  0.000  0.500  0.500  1.0
  Na  Na24  1  0.000  0.500  0.000  1.0
  Na  Na25  1  0.500  0.000  0.500  1.0
  Na  Na26  1  0.500  0.500  0.000  1.0
  Na  Na27  1  0.000  0.000  0.500  1.0
  Ca  Ca28  1  0.000  0.000  0.000  1.0
  N  N29  1  0.144  0.856  0.144  1.0
  N  N30  1  0.856  0.856  0.144  1.0
  N  N31  1  0.144  0.144  0.856  1.0
  N  N32  1  0.144  0.856  0.856  1.0
  N  N33  1  0.856  0.144  0.144  1.0
  N  N34  1  0.856  0.144  0.856  1.0
[/CIF]
.