The material structure described by NaCaN is Cotunnite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a trigonal non-coplanar geometry to three equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing CaN4 tetrahedra. N(1) is bonded to three equivalent Na(1) and four equivalent Ca(1) atoms to form a mixture of distorted corner and edge-sharing NNa3Ca4 hexagonal pyramids. is represented by the CIF card [CIF]
data_NaCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.424
_cell_length_b   4.078
_cell_length_c   6.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.021
_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
  Na  Na0  1  0.609  0.250  0.902  1.0
  Na  Na1  1  0.109  0.250  0.598  1.0
  Na  Na2  1  0.391  0.750  0.098  1.0
  Na  Na3  1  0.891  0.750  0.402  1.0
  Ca  Ca4  1  0.638  0.250  0.428  1.0
  Ca  Ca5  1  0.138  0.250  0.072  1.0
  Ca  Ca6  1  0.362  0.750  0.572  1.0
  Ca  Ca7  1  0.862  0.750  0.928  1.0
  N  N8  1  0.854  0.250  0.159  1.0
  N  N9  1  0.354  0.250  0.341  1.0
  N  N10  1  0.146  0.750  0.841  1.0
  N  N11  1  0.646  0.750  0.659  1.0
[/CIF]
.
The material structure described by NaCaN is Cotunnite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a trigonal non-coplanar geometry to three equivalent N(1) atoms. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing CaN4 tetrahedra. N(1) is bonded to three equivalent Na(1) and four equivalent Ca(1) atoms to form a mixture of distorted corner and edge-sharing NNa3Ca4 hexagonal pyramids. is represented by the CIF card [CIF]
data_NaCaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.424
_cell_length_b   4.078
_cell_length_c   6.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.021
_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
  Na  Na0  1  0.609  0.250  0.902  1.0
  Na  Na1  1  0.109  0.250  0.598  1.0
  Na  Na2  1  0.391  0.750  0.098  1.0
  Na  Na3  1  0.891  0.750  0.402  1.0
  Ca  Ca4  1  0.638  0.250  0.428  1.0
  Ca  Ca5  1  0.138  0.250  0.072  1.0
  Ca  Ca6  1  0.362  0.750  0.572  1.0
  Ca  Ca7  1  0.862  0.750  0.928  1.0
  N  N8  1  0.854  0.250  0.159  1.0
  N  N9  1  0.354  0.250  0.341  1.0
  N  N10  1  0.146  0.750  0.841  1.0
  N  N11  1  0.646  0.750  0.659  1.0
[/CIF]
.