The crystal structure described by In3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(5) atoms. In the third In site, In(3) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted edge and corner-sharing GaN4 trigonal pyramids. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one Ga(1), one Ga(2), and one Ga(3) atom. In the second N site, N(2) is bonded to one In(3), two equivalent In(1), one Ga(2), and one Ga(3) atom to form distorted NIn3Ga2 trigonal bipyramids that share  a cornercorner with one N(5)In2Ga2 trigonal pyramid, corners with two equivalent N(3)In2Ga2 trigonal pyramids, corners with three equivalent N(4)InGa3 trigonal pyramids,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the third N site, N(3) is bonded to one In(1), one In(2), and two equivalent Ga(1) atoms to form distorted NIn2Ga2 trigonal pyramids that share corners with two equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(5)In2Ga2 trigonal pyramids, and  an edgeedge with one N(3)In2Ga2 trigonal pyramid. In the fourth N site, N(4) is bonded to one In(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NInGa3 trigonal pyramids that share corners with three equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(3)In2Ga2 trigonal pyramid,  a cornercorner with one N(5)In2Ga2 trigonal pyramid,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the fifth N site, N(5) is bonded to two equivalent In(2), one Ga(1), and one Ga(3) atom to form distorted NIn2Ga2 trigonal pyramids that share  a cornercorner with one N(2)In3Ga2 trigonal bipyramid,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(3)In2Ga2 trigonal pyramids, and  an edgeedge with one N(5)In2Ga2 trigonal pyramid. is represented by the CIF card [CIF]
data_In3Ga3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.615
_cell_length_c   8.773
_cell_angle_alpha   106.286
_cell_angle_beta   96.680
_cell_angle_gamma   92.524
_symmetry_Int_Tables_number   1
_cell_volume   331.019
_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
  In  In0  1  0.800  0.426  0.607  1.0
  In  In1  1  0.200  0.574  0.393  1.0
  In  In2  1  0.674  0.843  0.924  1.0
  In  In3  1  0.326  0.157  0.076  1.0
  In  In4  1  0.661  0.631  0.253  1.0
  In  In5  1  0.339  0.369  0.747  1.0
  Ga  Ga6  1  0.862  0.307  0.969  1.0
  Ga  Ga7  1  0.138  0.693  0.031  1.0
  Ga  Ga8  1  0.683  0.935  0.588  1.0
  Ga  Ga9  1  0.317  0.065  0.412  1.0
  Ga  Ga10  1  0.127  0.880  0.712  1.0
  Ga  Ga11  1  0.873  0.120  0.288  1.0
  N  N12  1  0.868  0.038  0.798  1.0
  N  N13  1  0.132  0.962  0.202  1.0
  N  N14  1  0.883  0.699  0.522  1.0
  N  N15  1  0.117  0.301  0.478  1.0
  N  N16  1  0.851  0.555  0.883  1.0
  N  N17  1  0.149  0.445  0.117  1.0
  N  N18  1  0.347  0.892  0.564  1.0
  N  N19  1  0.653  0.108  0.436  1.0
  N  N20  1  0.306  0.819  0.893  1.0
  N  N21  1  0.694  0.181  0.107  1.0
[/CIF]
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The crystal structure described by In3Ga3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the second In site, In(2) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(5) atoms. In the third In site, In(3) is bonded in a single-bond geometry to one N(2) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. In the second Ga site, Ga(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing GaN4 tetrahedra. In the third Ga site, Ga(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of distorted edge and corner-sharing GaN4 trigonal pyramids. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one In(2), one Ga(1), one Ga(2), and one Ga(3) atom. In the second N site, N(2) is bonded to one In(3), two equivalent In(1), one Ga(2), and one Ga(3) atom to form distorted NIn3Ga2 trigonal bipyramids that share  a cornercorner with one N(5)In2Ga2 trigonal pyramid, corners with two equivalent N(3)In2Ga2 trigonal pyramids, corners with three equivalent N(4)InGa3 trigonal pyramids,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the third N site, N(3) is bonded to one In(1), one In(2), and two equivalent Ga(1) atoms to form distorted NIn2Ga2 trigonal pyramids that share corners with two equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(5)In2Ga2 trigonal pyramids, and  an edgeedge with one N(3)In2Ga2 trigonal pyramid. In the fourth N site, N(4) is bonded to one In(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NInGa3 trigonal pyramids that share corners with three equivalent N(2)In3Ga2 trigonal bipyramids,  a cornercorner with one N(3)In2Ga2 trigonal pyramid,  a cornercorner with one N(5)In2Ga2 trigonal pyramid,  an edgeedge with one N(2)In3Ga2 trigonal bipyramid, and  an edgeedge with one N(4)InGa3 trigonal pyramid. In the fifth N site, N(5) is bonded to two equivalent In(2), one Ga(1), and one Ga(3) atom to form distorted NIn2Ga2 trigonal pyramids that share  a cornercorner with one N(2)In3Ga2 trigonal bipyramid,  a cornercorner with one N(4)InGa3 trigonal pyramid, corners with four equivalent N(3)In2Ga2 trigonal pyramids, and  an edgeedge with one N(5)In2Ga2 trigonal pyramid. is represented by the CIF card [CIF]
data_In3Ga3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.615
_cell_length_c   8.773
_cell_angle_alpha   106.286
_cell_angle_beta   96.680
_cell_angle_gamma   92.524
_symmetry_Int_Tables_number   1
_cell_volume   331.019
_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
  In  In0  1  0.800  0.426  0.607  1.0
  In  In1  1  0.200  0.574  0.393  1.0
  In  In2  1  0.674  0.843  0.924  1.0
  In  In3  1  0.326  0.157  0.076  1.0
  In  In4  1  0.661  0.631  0.253  1.0
  In  In5  1  0.339  0.369  0.747  1.0
  Ga  Ga6  1  0.862  0.307  0.969  1.0
  Ga  Ga7  1  0.138  0.693  0.031  1.0
  Ga  Ga8  1  0.683  0.935  0.588  1.0
  Ga  Ga9  1  0.317  0.065  0.412  1.0
  Ga  Ga10  1  0.127  0.880  0.712  1.0
  Ga  Ga11  1  0.873  0.120  0.288  1.0
  N  N12  1  0.868  0.038  0.798  1.0
  N  N13  1  0.132  0.962  0.202  1.0
  N  N14  1  0.883  0.699  0.522  1.0
  N  N15  1  0.117  0.301  0.478  1.0
  N  N16  1  0.851  0.555  0.883  1.0
  N  N17  1  0.149  0.445  0.117  1.0
  N  N18  1  0.347  0.892  0.564  1.0
  N  N19  1  0.653  0.108  0.436  1.0
  N  N20  1  0.306  0.819  0.893  1.0
  N  N21  1  0.694  0.181  0.107  1.0
[/CIF]
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