The material described by ZrMgN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six N(1,1) atoms to form MgN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent Mg(1)N6 octahedra, edges with four equivalent Mg(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Zr(1) is bonded to six N(1,1,1) atoms to form ZrN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent Mg(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   4.460
_cell_length_c   5.576
_cell_angle_alpha   113.578
_cell_angle_beta   113.578
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   91.472
_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
  Mg  Mg0  1  0.375  0.125  0.750  1.0
  Mg  Mg1  1  0.625  0.875  0.250  1.0
  Zr  Zr2  1  0.125  0.375  0.250  1.0
  Zr  Zr3  1  0.875  0.625  0.750  1.0
  N  N4  1  0.884  0.134  0.769  1.0
  N  N5  1  0.116  0.866  0.231  1.0
  N  N6  1  0.366  0.616  0.731  1.0
  N  N7  1  0.634  0.384  0.269  1.0
[/CIF]
.
The material described by ZrMgN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to six N(1,1) atoms to form MgN6 octahedra that share corners with two equivalent Zr(1)N6 octahedra, corners with four equivalent Mg(1)N6 octahedra, edges with four equivalent Mg(1)N6 octahedra, and edges with eight equivalent Zr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Zr(1) is bonded to six N(1,1,1) atoms to form ZrN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Zr(1)N6 octahedra, edges with four equivalent Zr(1)N6 octahedra, and edges with eight equivalent Mg(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth N site, N(1) is bonded to three equivalent Mg(1) and three equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NMg3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   4.460
_cell_length_c   5.576
_cell_angle_alpha   113.578
_cell_angle_beta   113.578
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   91.472
_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
  Mg  Mg0  1  0.375  0.125  0.750  1.0
  Mg  Mg1  1  0.625  0.875  0.250  1.0
  Zr  Zr2  1  0.125  0.375  0.250  1.0
  Zr  Zr3  1  0.875  0.625  0.750  1.0
  N  N4  1  0.884  0.134  0.769  1.0
  N  N5  1  0.116  0.866  0.231  1.0
  N  N6  1  0.366  0.616  0.731  1.0
  N  N7  1  0.634  0.384  0.269  1.0
[/CIF]
.