The structure described by MgTa2N3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form MgN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Ta(1)N6 octahedra, edges with two equivalent Mg(1)N6 octahedra, and edges with ten equivalent Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ta(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form TaN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Ta(1)N6 octahedra, edges with five equivalent Mg(1)N6 octahedra, and edges with seven equivalent Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and four equivalent Ta(1) atoms to form a mixture of corner and edge-sharing NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(2) is bonded to two equivalent Mg(1) and four equivalent Ta(1) atoms to form a mixture of corner and edge-sharing NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_MgTa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   5.392
_cell_angle_alpha   146.673
_cell_angle_beta   132.591
_cell_angle_gamma   59.182
_symmetry_Int_Tables_number   1
_cell_volume   62.851
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.667  0.667  0.000  1.0
  Ta  Ta2  1  0.333  0.333  0.000  1.0
  N  N3  1  0.500  0.000  0.500  1.0
  N  N4  1  0.161  0.661  0.500  1.0
  N  N5  1  0.839  0.339  0.500  1.0
[/CIF]
.
The structure described by MgTa2N3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form MgN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Ta(1)N6 octahedra, edges with two equivalent Mg(1)N6 octahedra, and edges with ten equivalent Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ta(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form TaN6 octahedra that share corners with two equivalent Mg(1)N6 octahedra, corners with four equivalent Ta(1)N6 octahedra, edges with five equivalent Mg(1)N6 octahedra, and edges with seven equivalent Ta(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and four equivalent Ta(1) atoms to form a mixture of corner and edge-sharing NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second N site, N(2) is bonded to two equivalent Mg(1) and four equivalent Ta(1) atoms to form a mixture of corner and edge-sharing NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_MgTa2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   5.392
_cell_length_c   5.392
_cell_angle_alpha   146.673
_cell_angle_beta   132.591
_cell_angle_gamma   59.182
_symmetry_Int_Tables_number   1
_cell_volume   62.851
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.667  0.667  0.000  1.0
  Ta  Ta2  1  0.333  0.333  0.000  1.0
  N  N3  1  0.500  0.000  0.500  1.0
  N  N4  1  0.161  0.661  0.500  1.0
  N  N5  1  0.839  0.339  0.500  1.0
[/CIF]
.