The structure described by Mg2MnN3 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 Mn(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MnN4 tetrahedra that share corners with two equivalent Mn(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 to three equivalent Mg(1) and one Mn(1) atom to form distorted NMg3Mn trigonal pyramids that share corners with five equivalent N(2)Mg2Mn2 tetrahedra and corners with seven equivalent N(1)Mg3Mn trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Mn(1) atoms to form NMg2Mn2 tetrahedra that share corners with two equivalent N(2)Mg2Mn2 tetrahedra and corners with ten equivalent N(1)Mg3Mn trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.772
_cell_length_b   5.772
_cell_length_c   4.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.520
_symmetry_Int_Tables_number   1
_cell_volume   143.955
_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  0.664  0.991  0.529  1.0
  Mg  Mg1  1  0.991  0.664  0.529  1.0
  Mg  Mg2  1  0.336  0.009  0.029  1.0
  Mg  Mg3  1  0.009  0.336  0.029  1.0
  Mn  Mn4  1  0.332  0.332  0.520  1.0
  Mn  Mn5  1  0.668  0.668  0.020  1.0
  N  N6  1  0.670  0.966  0.098  1.0
  N  N7  1  0.966  0.670  0.098  1.0
  N  N8  1  0.330  0.034  0.598  1.0
  N  N9  1  0.034  0.330  0.598  1.0
  N  N10  1  0.376  0.376  0.153  1.0
  N  N11  1  0.624  0.624  0.653  1.0
[/CIF]
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The structure described by Mg2MnN3 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 Mn(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Mn(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MnN4 tetrahedra that share corners with two equivalent Mn(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 to three equivalent Mg(1) and one Mn(1) atom to form distorted NMg3Mn trigonal pyramids that share corners with five equivalent N(2)Mg2Mn2 tetrahedra and corners with seven equivalent N(1)Mg3Mn trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Mn(1) atoms to form NMg2Mn2 tetrahedra that share corners with two equivalent N(2)Mg2Mn2 tetrahedra and corners with ten equivalent N(1)Mg3Mn trigonal pyramids. is represented by the CIF file [CIF]
data_Mg2MnN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.772
_cell_length_b   5.772
_cell_length_c   4.966
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.520
_symmetry_Int_Tables_number   1
_cell_volume   143.955
_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  0.664  0.991  0.529  1.0
  Mg  Mg1  1  0.991  0.664  0.529  1.0
  Mg  Mg2  1  0.336  0.009  0.029  1.0
  Mg  Mg3  1  0.009  0.336  0.029  1.0
  Mn  Mn4  1  0.332  0.332  0.520  1.0
  Mn  Mn5  1  0.668  0.668  0.020  1.0
  N  N6  1  0.670  0.966  0.098  1.0
  N  N7  1  0.966  0.670  0.098  1.0
  N  N8  1  0.330  0.034  0.598  1.0
  N  N9  1  0.034  0.330  0.598  1.0
  N  N10  1  0.376  0.376  0.153  1.0
  N  N11  1  0.624  0.624  0.653  1.0
[/CIF]
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