The material described by Mg2CrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted MgN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Cr(1) atom. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Cr(1) atoms to form corner-sharing NMg2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.800
_cell_length_c   4.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.222
_symmetry_Int_Tables_number   1
_cell_volume   141.327
_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  0.324  0.333  0.468  1.0
  Mg  Mg1  1  0.676  0.008  0.468  1.0
  Mg  Mg2  1  0.676  0.667  0.968  1.0
  Mg  Mg3  1  0.324  0.992  0.968  1.0
  Cr  Cr4  1  0.000  0.672  0.478  1.0
  Cr  Cr5  1  1.000  0.328  0.978  1.0
  N  N6  1  0.299  0.334  0.904  1.0
  N  N7  1  0.701  0.035  0.904  1.0
  N  N8  1  0.701  0.666  0.404  1.0
  N  N9  1  0.299  0.965  0.404  1.0
  N  N10  1  1.000  0.628  0.850  1.0
  N  N11  1  0.000  0.372  0.350  1.0
[/CIF]
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The material described by Mg2CrN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted MgN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Cr(1) atom. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Cr(1) atoms to form corner-sharing NMg2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2CrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   5.800
_cell_length_c   4.894
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.222
_symmetry_Int_Tables_number   1
_cell_volume   141.327
_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  0.324  0.333  0.468  1.0
  Mg  Mg1  1  0.676  0.008  0.468  1.0
  Mg  Mg2  1  0.676  0.667  0.968  1.0
  Mg  Mg3  1  0.324  0.992  0.968  1.0
  Cr  Cr4  1  0.000  0.672  0.478  1.0
  Cr  Cr5  1  1.000  0.328  0.978  1.0
  N  N6  1  0.299  0.334  0.904  1.0
  N  N7  1  0.701  0.035  0.904  1.0
  N  N8  1  0.701  0.666  0.404  1.0
  N  N9  1  0.299  0.965  0.404  1.0
  N  N10  1  1.000  0.628  0.850  1.0
  N  N11  1  0.000  0.372  0.350  1.0
[/CIF]
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