The structure described by K2Ca5N4 crystallizes in the tetragonal P4/ncc space group. K(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to one K(1), one Ca(1), and four equivalent Ca(2) atoms to form a mixture of corner and edge-sharing NKCa5 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. is represented by the CIF card [CIF]
data_K2Ca5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   16.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1057.229
_cell_formula_units_Z   4
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
  K  K0  1  0.081  0.919  0.250  1.0
  K  K1  1  0.419  0.919  0.750  1.0
  K  K2  1  0.081  0.581  0.750  1.0
  K  K3  1  0.419  0.581  0.250  1.0
  K  K4  1  0.919  0.081  0.750  1.0
  K  K5  1  0.581  0.081  0.250  1.0
  K  K6  1  0.919  0.419  0.250  1.0
  K  K7  1  0.581  0.419  0.750  1.0
  Ca  Ca8  1  0.750  0.750  0.410  1.0
  Ca  Ca9  1  0.750  0.750  0.910  1.0
  Ca  Ca10  1  0.250  0.250  0.590  1.0
  Ca  Ca11  1  0.250  0.250  0.090  1.0
  Ca  Ca12  1  0.134  0.578  0.434  1.0
  Ca  Ca13  1  0.366  0.578  0.934  1.0
  Ca  Ca14  1  0.134  0.922  0.934  1.0
  Ca  Ca15  1  0.366  0.922  0.434  1.0
  Ca  Ca16  1  0.578  0.134  0.934  1.0
  Ca  Ca17  1  0.922  0.134  0.434  1.0
  Ca  Ca18  1  0.578  0.366  0.434  1.0
  Ca  Ca19  1  0.922  0.366  0.934  1.0
  Ca  Ca20  1  0.866  0.422  0.566  1.0
  Ca  Ca21  1  0.634  0.422  0.066  1.0
  Ca  Ca22  1  0.866  0.078  0.066  1.0
  Ca  Ca23  1  0.634  0.078  0.566  1.0
  Ca  Ca24  1  0.422  0.866  0.066  1.0
  Ca  Ca25  1  0.078  0.866  0.566  1.0
  Ca  Ca26  1  0.422  0.634  0.566  1.0
  Ca  Ca27  1  0.078  0.634  0.066  1.0
  N  N28  1  0.634  0.053  0.418  1.0
  N  N29  1  0.866  0.053  0.918  1.0
  N  N30  1  0.634  0.447  0.918  1.0
  N  N31  1  0.866  0.447  0.418  1.0
  N  N32  1  0.053  0.634  0.918  1.0
  N  N33  1  0.447  0.634  0.418  1.0
  N  N34  1  0.053  0.866  0.418  1.0
  N  N35  1  0.447  0.866  0.918  1.0
  N  N36  1  0.366  0.947  0.582  1.0
  N  N37  1  0.134  0.947  0.082  1.0
  N  N38  1  0.366  0.553  0.082  1.0
  N  N39  1  0.134  0.553  0.582  1.0
  N  N40  1  0.947  0.366  0.082  1.0
  N  N41  1  0.553  0.366  0.582  1.0
  N  N42  1  0.947  0.134  0.582  1.0
  N  N43  1  0.553  0.134  0.082  1.0
[/CIF]
.
The structure described by K2Ca5N4 crystallizes in the tetragonal P4/ncc space group. K(1) is bonded in a linear geometry to two equivalent N(1) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a rectangular see-saw-like geometry to four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted see-saw-like geometry to four equivalent N(1) atoms. N(1) is bonded to one K(1), one Ca(1), and four equivalent Ca(2) atoms to form a mixture of corner and edge-sharing NKCa5 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. is represented by the CIF card [CIF]
data_K2Ca5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   16.829
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1057.229
_cell_formula_units_Z   4
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
  K  K0  1  0.081  0.919  0.250  1.0
  K  K1  1  0.419  0.919  0.750  1.0
  K  K2  1  0.081  0.581  0.750  1.0
  K  K3  1  0.419  0.581  0.250  1.0
  K  K4  1  0.919  0.081  0.750  1.0
  K  K5  1  0.581  0.081  0.250  1.0
  K  K6  1  0.919  0.419  0.250  1.0
  K  K7  1  0.581  0.419  0.750  1.0
  Ca  Ca8  1  0.750  0.750  0.410  1.0
  Ca  Ca9  1  0.750  0.750  0.910  1.0
  Ca  Ca10  1  0.250  0.250  0.590  1.0
  Ca  Ca11  1  0.250  0.250  0.090  1.0
  Ca  Ca12  1  0.134  0.578  0.434  1.0
  Ca  Ca13  1  0.366  0.578  0.934  1.0
  Ca  Ca14  1  0.134  0.922  0.934  1.0
  Ca  Ca15  1  0.366  0.922  0.434  1.0
  Ca  Ca16  1  0.578  0.134  0.934  1.0
  Ca  Ca17  1  0.922  0.134  0.434  1.0
  Ca  Ca18  1  0.578  0.366  0.434  1.0
  Ca  Ca19  1  0.922  0.366  0.934  1.0
  Ca  Ca20  1  0.866  0.422  0.566  1.0
  Ca  Ca21  1  0.634  0.422  0.066  1.0
  Ca  Ca22  1  0.866  0.078  0.066  1.0
  Ca  Ca23  1  0.634  0.078  0.566  1.0
  Ca  Ca24  1  0.422  0.866  0.066  1.0
  Ca  Ca25  1  0.078  0.866  0.566  1.0
  Ca  Ca26  1  0.422  0.634  0.566  1.0
  Ca  Ca27  1  0.078  0.634  0.066  1.0
  N  N28  1  0.634  0.053  0.418  1.0
  N  N29  1  0.866  0.053  0.918  1.0
  N  N30  1  0.634  0.447  0.918  1.0
  N  N31  1  0.866  0.447  0.418  1.0
  N  N32  1  0.053  0.634  0.918  1.0
  N  N33  1  0.447  0.634  0.418  1.0
  N  N34  1  0.053  0.866  0.418  1.0
  N  N35  1  0.447  0.866  0.918  1.0
  N  N36  1  0.366  0.947  0.582  1.0
  N  N37  1  0.134  0.947  0.082  1.0
  N  N38  1  0.366  0.553  0.082  1.0
  N  N39  1  0.134  0.553  0.582  1.0
  N  N40  1  0.947  0.366  0.082  1.0
  N  N41  1  0.553  0.366  0.582  1.0
  N  N42  1  0.947  0.134  0.582  1.0
  N  N43  1  0.553  0.134  0.082  1.0
[/CIF]
.