The material structure described by KCaN crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent K(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.675
_cell_length_b   4.365
_cell_length_c   6.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.835
_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  0.547  0.250  0.848  1.0
  K  K1  1  0.047  0.250  0.652  1.0
  K  K2  1  0.453  0.750  0.152  1.0
  K  K3  1  0.953  0.750  0.348  1.0
  Ca  Ca4  1  0.644  0.250  0.413  1.0
  Ca  Ca5  1  0.144  0.250  0.087  1.0
  Ca  Ca6  1  0.356  0.750  0.587  1.0
  Ca  Ca7  1  0.856  0.750  0.913  1.0
  N  N8  1  0.828  0.250  0.108  1.0
  N  N9  1  0.328  0.250  0.392  1.0
  N  N10  1  0.172  0.750  0.892  1.0
  N  N11  1  0.672  0.750  0.608  1.0
[/CIF]
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The material structure described by KCaN crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 3-coordinate geometry to three equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent K(1) and four equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.675
_cell_length_b   4.365
_cell_length_c   6.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.835
_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  0.547  0.250  0.848  1.0
  K  K1  1  0.047  0.250  0.652  1.0
  K  K2  1  0.453  0.750  0.152  1.0
  K  K3  1  0.953  0.750  0.348  1.0
  Ca  Ca4  1  0.644  0.250  0.413  1.0
  Ca  Ca5  1  0.144  0.250  0.087  1.0
  Ca  Ca6  1  0.356  0.750  0.587  1.0
  Ca  Ca7  1  0.856  0.750  0.913  1.0
  N  N8  1  0.828  0.250  0.108  1.0
  N  N9  1  0.328  0.250  0.392  1.0
  N  N10  1  0.172  0.750  0.892  1.0
  N  N11  1  0.672  0.750  0.608  1.0
[/CIF]
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