The material described by MgCrN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Cr(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 four equivalent Cr(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent Cr(1) atoms to form corner-sharing NMg2Cr2 tetrahedra. 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_MgCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   6.557
_cell_length_c   5.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   187.038
_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
  Mg  Mg0  1  0.590  0.878  0.992  1.0
  Mg  Mg1  1  0.410  0.122  0.492  1.0
  Mg  Mg2  1  0.910  0.378  0.492  1.0
  Mg  Mg3  1  0.090  0.622  0.992  1.0
  Cr  Cr4  1  0.574  0.372  0.001  1.0
  Cr  Cr5  1  0.426  0.628  0.501  1.0
  Cr  Cr6  1  0.926  0.872  0.501  1.0
  Cr  Cr7  1  0.074  0.128  0.001  1.0
  N  N8  1  0.561  0.394  0.367  1.0
  N  N9  1  0.439  0.606  0.867  1.0
  N  N10  1  0.939  0.894  0.867  1.0
  N  N11  1  0.061  0.106  0.367  1.0
  N  N12  1  0.603  0.856  0.410  1.0
  N  N13  1  0.397  0.144  0.910  1.0
  N  N14  1  0.897  0.356  0.910  1.0
  N  N15  1  0.103  0.644  0.410  1.0
[/CIF]
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The material described by MgCrN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MgN4 tetrahedra that share corners with four equivalent Mg(1)N4 tetrahedra and corners with eight equivalent Cr(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 four equivalent Cr(1)N4 tetrahedra and corners with eight equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent Cr(1) atoms to form corner-sharing NMg2Cr2 tetrahedra. 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_MgCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   6.557
_cell_length_c   5.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   187.038
_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
  Mg  Mg0  1  0.590  0.878  0.992  1.0
  Mg  Mg1  1  0.410  0.122  0.492  1.0
  Mg  Mg2  1  0.910  0.378  0.492  1.0
  Mg  Mg3  1  0.090  0.622  0.992  1.0
  Cr  Cr4  1  0.574  0.372  0.001  1.0
  Cr  Cr5  1  0.426  0.628  0.501  1.0
  Cr  Cr6  1  0.926  0.872  0.501  1.0
  Cr  Cr7  1  0.074  0.128  0.001  1.0
  N  N8  1  0.561  0.394  0.367  1.0
  N  N9  1  0.439  0.606  0.867  1.0
  N  N10  1  0.939  0.894  0.867  1.0
  N  N11  1  0.061  0.106  0.367  1.0
  N  N12  1  0.603  0.856  0.410  1.0
  N  N13  1  0.397  0.144  0.910  1.0
  N  N14  1  0.897  0.356  0.910  1.0
  N  N15  1  0.103  0.644  0.410  1.0
[/CIF]
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