The structure described by CrMnN2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form distorted CrN6 pentagonal pyramids that share corners with nine equivalent Mn(1)N6 octahedra, edges with three equivalent Mn(1)N6 octahedra, edges with six equivalent Cr(1)N6 pentagonal pyramids, and  a faceface with one Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 2-46°. Mn(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form MnN6 octahedra that share corners with nine equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Mn(1)N6 octahedra, edges with three equivalent Cr(1)N6 pentagonal pyramids, and  a faceface with one Cr(1)N6 pentagonal pyramid. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NMn3Cr3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-46°. In the second N site, N(2) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing NMn3Cr3 octahedra. is represented by the CIF file [CIF]
data_MnCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.756
_cell_length_b   5.329
_cell_length_c   15.265
_cell_angle_alpha   17.379
_cell_angle_beta   90.035
_cell_angle_gamma   75.035
_symmetry_Int_Tables_number   1
_cell_volume   33.430
_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
  Mn  Mn0  1  1.000  0.750  0.084  1.0
  Cr  Cr1  1  0.000  0.750  0.250  1.0
  N  N2  1  0.000  0.750  0.501  1.0
  N  N3  1  1.000  0.750  0.665  1.0
[/CIF]
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The structure described by CrMnN2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form distorted CrN6 pentagonal pyramids that share corners with nine equivalent Mn(1)N6 octahedra, edges with three equivalent Mn(1)N6 octahedra, edges with six equivalent Cr(1)N6 pentagonal pyramids, and  a faceface with one Mn(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 2-46°. Mn(1) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form MnN6 octahedra that share corners with nine equivalent Cr(1)N6 pentagonal pyramids, edges with six equivalent Mn(1)N6 octahedra, edges with three equivalent Cr(1)N6 pentagonal pyramids, and  a faceface with one Cr(1)N6 pentagonal pyramid. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing NMn3Cr3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-46°. In the second N site, N(2) is bonded to three equivalent Cr(1) and three equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing NMn3Cr3 octahedra. is represented by the CIF file [CIF]
data_MnCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.756
_cell_length_b   5.329
_cell_length_c   15.265
_cell_angle_alpha   17.379
_cell_angle_beta   90.035
_cell_angle_gamma   75.035
_symmetry_Int_Tables_number   1
_cell_volume   33.430
_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
  Mn  Mn0  1  1.000  0.750  0.084  1.0
  Cr  Cr1  1  0.000  0.750  0.250  1.0
  N  N2  1  0.000  0.750  0.501  1.0
  N  N3  1  1.000  0.750  0.665  1.0
[/CIF]
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