The crystal structure described by GaNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Ga(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Ga(1) atom. In the third O site, O(3) is bonded to one Nb(1) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing ONbGa3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nb(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_NbGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   6.560
_cell_length_c   6.662
_cell_angle_alpha   107.094
_cell_angle_beta   90.000
_cell_angle_gamma   106.939
_symmetry_Int_Tables_number   1
_cell_volume   152.049
_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
  Nb  Nb0  1  0.102  0.208  0.233  1.0
  Nb  Nb1  1  0.894  0.792  0.767  1.0
  Ga  Ga2  1  0.196  0.396  0.818  1.0
  Ga  Ga3  1  0.800  0.604  0.182  1.0
  O  O4  1  0.861  0.725  0.481  1.0
  O  O5  1  0.136  0.275  0.519  1.0
  O  O6  1  0.943  0.890  0.134  1.0
  O  O7  1  0.053  0.110  0.866  1.0
  O  O8  1  0.257  0.519  0.145  1.0
  O  O9  1  0.739  0.481  0.855  1.0
  O  O10  1  0.359  0.721  0.798  1.0
  O  O11  1  0.638  0.279  0.202  1.0
[/CIF]
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The crystal structure described by GaNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Ga(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Nb(1) and one Ga(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Ga(1) atom. In the third O site, O(3) is bonded to one Nb(1) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing ONbGa3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nb(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_NbGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   6.560
_cell_length_c   6.662
_cell_angle_alpha   107.094
_cell_angle_beta   90.000
_cell_angle_gamma   106.939
_symmetry_Int_Tables_number   1
_cell_volume   152.049
_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
  Nb  Nb0  1  0.102  0.208  0.233  1.0
  Nb  Nb1  1  0.894  0.792  0.767  1.0
  Ga  Ga2  1  0.196  0.396  0.818  1.0
  Ga  Ga3  1  0.800  0.604  0.182  1.0
  O  O4  1  0.861  0.725  0.481  1.0
  O  O5  1  0.136  0.275  0.519  1.0
  O  O6  1  0.943  0.890  0.134  1.0
  O  O7  1  0.053  0.110  0.866  1.0
  O  O8  1  0.257  0.519  0.145  1.0
  O  O9  1  0.739  0.481  0.855  1.0
  O  O10  1  0.359  0.721  0.798  1.0
  O  O11  1  0.638  0.279  0.202  1.0
[/CIF]
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