The compound described by In3(GaN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a bent 120 degrees geometry to two equivalent N(2) atoms. In the second In site, In(2) is bonded to four equivalent N(1) atoms to form distorted InN4 trigonal pyramids that share corners with four equivalent Ga(2)N4 tetrahedra, corners with two equivalent Ga(1)N4 trigonal pyramids,  an edgeedge with one Ga(1)N4 trigonal pyramid, and edges with two equivalent In(2)N4 trigonal pyramids. 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 GaN4 trigonal pyramids that share corners with two equivalent In(2)N4 trigonal pyramids, edges with two equivalent Ga(2)N4 tetrahedra, and  an edgeedge with one In(2)N4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted GaN4 tetrahedra that share corners with four equivalent In(2)N4 trigonal pyramids and edges with two equivalent Ga(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent In(2), one Ga(1), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing NIn2Ga2 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent In(1), one Ga(1), and one Ga(2) atom to form a mixture of corner and edge-sharing NIn2Ga2 tetrahedra. is represented by the CIF card [CIF]
data_In3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   10.700
_cell_length_c   8.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.060
_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
  In  In0  1  0.829  0.166  0.380  1.0
  In  In1  1  0.671  0.834  0.380  1.0
  In  In2  1  0.829  0.334  0.120  1.0
  In  In3  1  0.671  0.666  0.120  1.0
  In  In4  1  0.171  0.834  0.620  1.0
  In  In5  1  0.329  0.166  0.620  1.0
  In  In6  1  0.171  0.666  0.880  1.0
  In  In7  1  0.329  0.334  0.880  1.0
  In  In8  1  0.750  0.500  0.431  1.0
  In  In9  1  0.750  0.000  0.069  1.0
  In  In10  1  0.250  0.500  0.569  1.0
  In  In11  1  0.250  0.000  0.931  1.0
  Ga  Ga12  1  0.750  0.500  0.779  1.0
  Ga  Ga13  1  0.750  0.000  0.721  1.0
  Ga  Ga14  1  0.250  0.500  0.221  1.0
  Ga  Ga15  1  0.250  0.000  0.279  1.0
  Ga  Ga16  1  0.838  0.250  0.750  1.0
  Ga  Ga17  1  0.662  0.750  0.750  1.0
  Ga  Ga18  1  0.162  0.750  0.250  1.0
  Ga  Ga19  1  0.338  0.250  0.250  1.0
  N  N20  1  0.935  0.404  0.631  1.0
  N  N21  1  0.565  0.596  0.631  1.0
  N  N22  1  0.935  0.096  0.869  1.0
  N  N23  1  0.565  0.904  0.869  1.0
  N  N24  1  0.065  0.596  0.369  1.0
  N  N25  1  0.435  0.404  0.369  1.0
  N  N26  1  0.065  0.904  0.131  1.0
  N  N27  1  0.435  0.096  0.131  1.0
  N  N28  1  0.672  0.353  0.900  1.0
  N  N29  1  0.828  0.647  0.900  1.0
  N  N30  1  0.672  0.147  0.600  1.0
  N  N31  1  0.828  0.853  0.600  1.0
  N  N32  1  0.328  0.647  0.100  1.0
  N  N33  1  0.172  0.353  0.100  1.0
  N  N34  1  0.328  0.853  0.400  1.0
  N  N35  1  0.172  0.147  0.400  1.0
[/CIF]
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The compound described by In3(GaN2)2 crystallizes in the orthorhombic Pnna space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a bent 120 degrees geometry to two equivalent N(2) atoms. In the second In site, In(2) is bonded to four equivalent N(1) atoms to form distorted InN4 trigonal pyramids that share corners with four equivalent Ga(2)N4 tetrahedra, corners with two equivalent Ga(1)N4 trigonal pyramids,  an edgeedge with one Ga(1)N4 trigonal pyramid, and edges with two equivalent In(2)N4 trigonal pyramids. 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 GaN4 trigonal pyramids that share corners with two equivalent In(2)N4 trigonal pyramids, edges with two equivalent Ga(2)N4 tetrahedra, and  an edgeedge with one In(2)N4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted GaN4 tetrahedra that share corners with four equivalent In(2)N4 trigonal pyramids and edges with two equivalent Ga(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent In(2), one Ga(1), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing NIn2Ga2 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent In(1), one Ga(1), and one Ga(2) atom to form a mixture of corner and edge-sharing NIn2Ga2 tetrahedra. is represented by the CIF card [CIF]
data_In3(GaN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.338
_cell_length_b   10.700
_cell_length_c   8.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.060
_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
  In  In0  1  0.829  0.166  0.380  1.0
  In  In1  1  0.671  0.834  0.380  1.0
  In  In2  1  0.829  0.334  0.120  1.0
  In  In3  1  0.671  0.666  0.120  1.0
  In  In4  1  0.171  0.834  0.620  1.0
  In  In5  1  0.329  0.166  0.620  1.0
  In  In6  1  0.171  0.666  0.880  1.0
  In  In7  1  0.329  0.334  0.880  1.0
  In  In8  1  0.750  0.500  0.431  1.0
  In  In9  1  0.750  0.000  0.069  1.0
  In  In10  1  0.250  0.500  0.569  1.0
  In  In11  1  0.250  0.000  0.931  1.0
  Ga  Ga12  1  0.750  0.500  0.779  1.0
  Ga  Ga13  1  0.750  0.000  0.721  1.0
  Ga  Ga14  1  0.250  0.500  0.221  1.0
  Ga  Ga15  1  0.250  0.000  0.279  1.0
  Ga  Ga16  1  0.838  0.250  0.750  1.0
  Ga  Ga17  1  0.662  0.750  0.750  1.0
  Ga  Ga18  1  0.162  0.750  0.250  1.0
  Ga  Ga19  1  0.338  0.250  0.250  1.0
  N  N20  1  0.935  0.404  0.631  1.0
  N  N21  1  0.565  0.596  0.631  1.0
  N  N22  1  0.935  0.096  0.869  1.0
  N  N23  1  0.565  0.904  0.869  1.0
  N  N24  1  0.065  0.596  0.369  1.0
  N  N25  1  0.435  0.404  0.369  1.0
  N  N26  1  0.065  0.904  0.131  1.0
  N  N27  1  0.435  0.096  0.131  1.0
  N  N28  1  0.672  0.353  0.900  1.0
  N  N29  1  0.828  0.647  0.900  1.0
  N  N30  1  0.672  0.147  0.600  1.0
  N  N31  1  0.828  0.853  0.600  1.0
  N  N32  1  0.328  0.647  0.100  1.0
  N  N33  1  0.172  0.353  0.100  1.0
  N  N34  1  0.328  0.853  0.400  1.0
  N  N35  1  0.172  0.147  0.400  1.0
[/CIF]
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