The material structure described by Nd3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO7 hexagonal pyramids that share corners with two equivalent Nd(2)O7 pentagonal bipyramids,  a cornercorner with one Ga(1)O4 tetrahedra, edges with two equivalent Nd(1)O7 hexagonal pyramids, edges with six equivalent Nd(2)O7 pentagonal bipyramids, and  an edgeedge with one Ga(1)O4 tetrahedra. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with four equivalent Nd(2)O7 pentagonal bipyramids, corners with three equivalent Ga(1)O4 tetrahedra, edges with three equivalent Nd(1)O7 hexagonal pyramids, edges with two equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  a faceface with one Nd(2)O7 pentagonal bipyramid. Ga(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with six equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Nd(1)O7 hexagonal pyramid, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with six equivalent O(4)Nd3Ga trigonal pyramids, edges with three equivalent O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. In the fourth O site, O(4) is bonded to one Nd(1), two equivalent Nd(2), and one Ga(1) atom to form distorted ONd3Ga trigonal pyramids that share corners with six equivalent O(3)Nd4 tetrahedra, corners with two equivalent O(4)Nd3Ga trigonal pyramids,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3GaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   7.389
_cell_length_c   7.389
_cell_angle_alpha   102.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.349
_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
  Nd  Nd0  1  0.075  0.604  0.396  1.0
  Nd  Nd1  1  0.575  0.396  0.604  1.0
  Nd  Nd2  1  0.031  0.087  0.299  1.0
  Nd  Nd3  1  0.531  0.913  0.701  1.0
  Nd  Nd4  1  0.031  0.701  0.913  1.0
  Nd  Nd5  1  0.531  0.299  0.087  1.0
  Ga  Ga6  1  0.497  0.808  0.192  1.0
  Ga  Ga7  1  0.997  0.192  0.808  1.0
  O  O8  1  0.823  0.785  0.215  1.0
  O  O9  1  0.323  0.215  0.785  1.0
  O  O10  1  0.367  0.958  0.042  1.0
  O  O11  1  0.867  0.042  0.958  1.0
  O  O12  1  0.301  0.327  0.354  1.0
  O  O13  1  0.801  0.673  0.646  1.0
  O  O14  1  0.301  0.646  0.673  1.0
  O  O15  1  0.801  0.354  0.327  1.0
  O  O16  1  0.830  0.415  0.894  1.0
  O  O17  1  0.330  0.585  0.106  1.0
  O  O18  1  0.830  0.106  0.585  1.0
  O  O19  1  0.330  0.894  0.415  1.0
[/CIF]
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The material structure described by Nd3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO7 hexagonal pyramids that share corners with two equivalent Nd(2)O7 pentagonal bipyramids,  a cornercorner with one Ga(1)O4 tetrahedra, edges with two equivalent Nd(1)O7 hexagonal pyramids, edges with six equivalent Nd(2)O7 pentagonal bipyramids, and  an edgeedge with one Ga(1)O4 tetrahedra. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with four equivalent Nd(2)O7 pentagonal bipyramids, corners with three equivalent Ga(1)O4 tetrahedra, edges with three equivalent Nd(1)O7 hexagonal pyramids, edges with two equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  a faceface with one Nd(2)O7 pentagonal bipyramid. Ga(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with six equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Nd(1)O7 hexagonal pyramid, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with six equivalent O(4)Nd3Ga trigonal pyramids, edges with three equivalent O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. In the fourth O site, O(4) is bonded to one Nd(1), two equivalent Nd(2), and one Ga(1) atom to form distorted ONd3Ga trigonal pyramids that share corners with six equivalent O(3)Nd4 tetrahedra, corners with two equivalent O(4)Nd3Ga trigonal pyramids,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd3GaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.604
_cell_length_b   7.389
_cell_length_c   7.389
_cell_angle_alpha   102.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.349
_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
  Nd  Nd0  1  0.075  0.604  0.396  1.0
  Nd  Nd1  1  0.575  0.396  0.604  1.0
  Nd  Nd2  1  0.031  0.087  0.299  1.0
  Nd  Nd3  1  0.531  0.913  0.701  1.0
  Nd  Nd4  1  0.031  0.701  0.913  1.0
  Nd  Nd5  1  0.531  0.299  0.087  1.0
  Ga  Ga6  1  0.497  0.808  0.192  1.0
  Ga  Ga7  1  0.997  0.192  0.808  1.0
  O  O8  1  0.823  0.785  0.215  1.0
  O  O9  1  0.323  0.215  0.785  1.0
  O  O10  1  0.367  0.958  0.042  1.0
  O  O11  1  0.867  0.042  0.958  1.0
  O  O12  1  0.301  0.327  0.354  1.0
  O  O13  1  0.801  0.673  0.646  1.0
  O  O14  1  0.301  0.646  0.673  1.0
  O  O15  1  0.801  0.354  0.327  1.0
  O  O16  1  0.830  0.415  0.894  1.0
  O  O17  1  0.330  0.585  0.106  1.0
  O  O18  1  0.830  0.106  0.585  1.0
  O  O19  1  0.330  0.894  0.415  1.0
[/CIF]
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