The material structure described by Mg3(GaN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted MgN5 trigonal bipyramids that share corners with six equivalent Ga(1)N4 tetrahedra, corners with two equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ga(1)N4 tetrahedra, and edges with three equivalent Mg(1)N5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra, corners with six equivalent Mg(1)N5 trigonal bipyramids,  an edgeedge with one Ga(1)N4 tetrahedra, and edges with two equivalent Mg(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(2), three equivalent Mg(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge and corner-sharing NMg4Ga2 pentagonal pyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.868
_cell_length_c   5.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.386
_cell_angle_gamma   129.101
_symmetry_Int_Tables_number   1
_cell_volume   204.131
_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  0.225  0.985  0.063  1.0
  Mg  Mg1  1  0.775  0.760  0.437  1.0
  Mg  Mg2  1  0.775  0.015  0.937  1.0
  Mg  Mg3  1  0.225  0.240  0.563  1.0
  Mg  Mg4  1  0.000  0.633  0.750  1.0
  Mg  Mg5  1  0.000  0.367  0.250  1.0
  Ga  Ga6  1  0.605  0.183  0.622  1.0
  Ga  Ga7  1  0.395  0.578  0.878  1.0
  Ga  Ga8  1  0.395  0.817  0.378  1.0
  Ga  Ga9  1  0.605  0.422  0.122  1.0
  N  N10  1  0.215  0.944  0.500  1.0
  N  N11  1  0.785  0.729  1.000  1.0
  N  N12  1  0.785  0.056  0.500  1.0
  N  N13  1  0.215  0.271  0.000  1.0
  N  N14  1  0.690  0.247  0.974  1.0
  N  N15  1  0.310  0.557  0.526  1.0
  N  N16  1  0.310  0.753  0.026  1.0
  N  N17  1  0.690  0.443  0.474  1.0
[/CIF]
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The material structure described by Mg3(GaN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form distorted MgN5 trigonal bipyramids that share corners with six equivalent Ga(1)N4 tetrahedra, corners with two equivalent Mg(1)N5 trigonal bipyramids, edges with two equivalent Ga(1)N4 tetrahedra, and edges with three equivalent Mg(1)N5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Ga(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted GaN4 tetrahedra that share corners with two equivalent Ga(1)N4 tetrahedra, corners with six equivalent Mg(1)N5 trigonal bipyramids,  an edgeedge with one Ga(1)N4 tetrahedra, and edges with two equivalent Mg(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mg(2), three equivalent Mg(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge and corner-sharing NMg4Ga2 pentagonal pyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.237
_cell_length_b   7.868
_cell_length_c   5.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.386
_cell_angle_gamma   129.101
_symmetry_Int_Tables_number   1
_cell_volume   204.131
_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  0.225  0.985  0.063  1.0
  Mg  Mg1  1  0.775  0.760  0.437  1.0
  Mg  Mg2  1  0.775  0.015  0.937  1.0
  Mg  Mg3  1  0.225  0.240  0.563  1.0
  Mg  Mg4  1  0.000  0.633  0.750  1.0
  Mg  Mg5  1  0.000  0.367  0.250  1.0
  Ga  Ga6  1  0.605  0.183  0.622  1.0
  Ga  Ga7  1  0.395  0.578  0.878  1.0
  Ga  Ga8  1  0.395  0.817  0.378  1.0
  Ga  Ga9  1  0.605  0.422  0.122  1.0
  N  N10  1  0.215  0.944  0.500  1.0
  N  N11  1  0.785  0.729  1.000  1.0
  N  N12  1  0.785  0.056  0.500  1.0
  N  N13  1  0.215  0.271  0.000  1.0
  N  N14  1  0.690  0.247  0.974  1.0
  N  N15  1  0.310  0.557  0.526  1.0
  N  N16  1  0.310  0.753  0.026  1.0
  N  N17  1  0.690  0.443  0.474  1.0
[/CIF]
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