The material structure described by Mg3(GaN2)2 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing GaN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ga(1), and one Ga(2) atom to form distorted NMg4Ga2 octahedra that share corners with three equivalent N(1)Mg4Ga2 octahedra, corners with six equivalent N(2)Mg2Ga2 tetrahedra, edges with two equivalent N(1)Mg4Ga2 octahedra,  an edgeedge with one N(2)Mg2Ga2 tetrahedra, and  a faceface with one N(1)Mg4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. In the second N site, N(2) is bonded to two equivalent Mg(1), one Ga(1), and one Ga(2) atom to form NMg2Ga2 tetrahedra that share corners with six equivalent N(1)Mg4Ga2 octahedra, corners with four equivalent N(2)Mg2Ga2 tetrahedra, and  an edgeedge with one N(1)Mg4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 53-80°. is represented by the CIF file [CIF]
data_Mg3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   10.351
_cell_length_c   8.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.167
_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  0.664  0.171  0.391  1.0
  Mg  Mg1  1  0.836  0.829  0.391  1.0
  Mg  Mg2  1  0.664  0.329  0.109  1.0
  Mg  Mg3  1  0.836  0.671  0.109  1.0
  Mg  Mg4  1  0.336  0.829  0.609  1.0
  Mg  Mg5  1  0.164  0.171  0.609  1.0
  Mg  Mg6  1  0.336  0.671  0.891  1.0
  Mg  Mg7  1  0.164  0.329  0.891  1.0
  Mg  Mg8  1  0.750  0.500  0.446  1.0
  Mg  Mg9  1  0.750  0.000  0.054  1.0
  Mg  Mg10  1  0.250  0.500  0.554  1.0
  Mg  Mg11  1  0.250  0.000  0.946  1.0
  Ga  Ga12  1  0.750  0.500  0.792  1.0
  Ga  Ga13  1  0.750  0.000  0.708  1.0
  Ga  Ga14  1  0.250  0.500  0.208  1.0
  Ga  Ga15  1  0.250  0.000  0.292  1.0
  Ga  Ga16  1  0.711  0.250  0.750  1.0
  Ga  Ga17  1  0.789  0.750  0.750  1.0
  Ga  Ga18  1  0.289  0.750  0.250  1.0
  Ga  Ga19  1  0.211  0.250  0.250  1.0
  N  N20  1  0.971  0.380  0.654  1.0
  N  N21  1  0.529  0.620  0.654  1.0
  N  N22  1  0.971  0.120  0.846  1.0
  N  N23  1  0.529  0.880  0.846  1.0
  N  N24  1  0.029  0.620  0.346  1.0
  N  N25  1  0.471  0.380  0.346  1.0
  N  N26  1  0.029  0.880  0.154  1.0
  N  N27  1  0.471  0.120  0.154  1.0
  N  N28  1  0.537  0.369  0.884  1.0
  N  N29  1  0.963  0.631  0.884  1.0
  N  N30  1  0.537  0.131  0.616  1.0
  N  N31  1  0.963  0.869  0.616  1.0
  N  N32  1  0.463  0.631  0.116  1.0
  N  N33  1  0.037  0.369  0.116  1.0
  N  N34  1  0.463  0.869  0.384  1.0
  N  N35  1  0.037  0.131  0.384  1.0
[/CIF]
.
The material structure described by Mg3(GaN2)2 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing GaN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), one Ga(1), and one Ga(2) atom to form distorted NMg4Ga2 octahedra that share corners with three equivalent N(1)Mg4Ga2 octahedra, corners with six equivalent N(2)Mg2Ga2 tetrahedra, edges with two equivalent N(1)Mg4Ga2 octahedra,  an edgeedge with one N(2)Mg2Ga2 tetrahedra, and  a faceface with one N(1)Mg4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 46-71°. In the second N site, N(2) is bonded to two equivalent Mg(1), one Ga(1), and one Ga(2) atom to form NMg2Ga2 tetrahedra that share corners with six equivalent N(1)Mg4Ga2 octahedra, corners with four equivalent N(2)Mg2Ga2 tetrahedra, and  an edgeedge with one N(1)Mg4Ga2 octahedra. The corner-sharing octahedral tilt angles range from 53-80°. is represented by the CIF file [CIF]
data_Mg3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   10.351
_cell_length_c   8.291
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   457.167
_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  0.664  0.171  0.391  1.0
  Mg  Mg1  1  0.836  0.829  0.391  1.0
  Mg  Mg2  1  0.664  0.329  0.109  1.0
  Mg  Mg3  1  0.836  0.671  0.109  1.0
  Mg  Mg4  1  0.336  0.829  0.609  1.0
  Mg  Mg5  1  0.164  0.171  0.609  1.0
  Mg  Mg6  1  0.336  0.671  0.891  1.0
  Mg  Mg7  1  0.164  0.329  0.891  1.0
  Mg  Mg8  1  0.750  0.500  0.446  1.0
  Mg  Mg9  1  0.750  0.000  0.054  1.0
  Mg  Mg10  1  0.250  0.500  0.554  1.0
  Mg  Mg11  1  0.250  0.000  0.946  1.0
  Ga  Ga12  1  0.750  0.500  0.792  1.0
  Ga  Ga13  1  0.750  0.000  0.708  1.0
  Ga  Ga14  1  0.250  0.500  0.208  1.0
  Ga  Ga15  1  0.250  0.000  0.292  1.0
  Ga  Ga16  1  0.711  0.250  0.750  1.0
  Ga  Ga17  1  0.789  0.750  0.750  1.0
  Ga  Ga18  1  0.289  0.750  0.250  1.0
  Ga  Ga19  1  0.211  0.250  0.250  1.0
  N  N20  1  0.971  0.380  0.654  1.0
  N  N21  1  0.529  0.620  0.654  1.0
  N  N22  1  0.971  0.120  0.846  1.0
  N  N23  1  0.529  0.880  0.846  1.0
  N  N24  1  0.029  0.620  0.346  1.0
  N  N25  1  0.471  0.380  0.346  1.0
  N  N26  1  0.029  0.880  0.154  1.0
  N  N27  1  0.471  0.120  0.154  1.0
  N  N28  1  0.537  0.369  0.884  1.0
  N  N29  1  0.963  0.631  0.884  1.0
  N  N30  1  0.537  0.131  0.616  1.0
  N  N31  1  0.963  0.869  0.616  1.0
  N  N32  1  0.463  0.631  0.116  1.0
  N  N33  1  0.037  0.369  0.116  1.0
  N  N34  1  0.463  0.869  0.384  1.0
  N  N35  1  0.037  0.131  0.384  1.0
[/CIF]
.