The material described by MnGaN2 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pmma space group. Mn(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form a mixture of edge, face, and corner-sharing MnN6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ga(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Ga(1) atom. In the second N site, N(2) is bonded to four equivalent Mn(1) and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing NMn4Ga2 pentagonal pyramids. is represented by the CIF card [CIF]
data_MnGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   5.276
_cell_length_c   5.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.633
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Ga  Ga2  1  0.000  0.250  0.091  1.0
  Ga  Ga3  1  0.000  0.750  0.909  1.0
  N  N4  1  0.000  0.250  0.760  1.0
  N  N5  1  0.000  0.750  0.240  1.0
  N  N6  1  0.500  0.250  0.335  1.0
  N  N7  1  0.500  0.750  0.665  1.0
[/CIF]
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The material described by MnGaN2 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pmma space group. Mn(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form a mixture of edge, face, and corner-sharing MnN6 octahedra. The corner-sharing octahedral tilt angles are 50°. Ga(1) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Ga(1) atom. In the second N site, N(2) is bonded to four equivalent Mn(1) and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing NMn4Ga2 pentagonal pyramids. is represented by the CIF card [CIF]
data_MnGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.919
_cell_length_b   5.276
_cell_length_c   5.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   85.633
_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
  Mn  Mn0  1  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Ga  Ga2  1  0.000  0.250  0.091  1.0
  Ga  Ga3  1  0.000  0.750  0.909  1.0
  N  N4  1  0.000  0.250  0.760  1.0
  N  N5  1  0.000  0.750  0.240  1.0
  N  N6  1  0.500  0.250  0.335  1.0
  N  N7  1  0.500  0.750  0.665  1.0
[/CIF]
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