The structure described by AlNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Al(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_NbAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.813
_cell_length_b   6.295
_cell_length_c   6.680
_cell_angle_alpha   104.995
_cell_angle_beta   90.000
_cell_angle_gamma   72.369
_symmetry_Int_Tables_number   1
_cell_volume   147.063
_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  0.191  0.618  0.246  1.0
  Nb  Nb1  1  0.809  0.382  0.754  1.0
  Al  Al2  1  0.901  0.197  0.183  1.0
  Al  Al3  1  0.099  0.803  0.817  1.0
  O  O4  1  0.736  0.528  0.171  1.0
  O  O5  1  0.264  0.472  0.829  1.0
  O  O6  1  0.366  0.268  0.196  1.0
  O  O7  1  0.634  0.732  0.804  1.0
  O  O8  1  0.062  0.876  0.122  1.0
  O  O9  1  0.938  0.124  0.878  1.0
  O  O10  1  0.872  0.257  0.475  1.0
  O  O11  1  0.128  0.743  0.525  1.0
[/CIF]
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The structure described by AlNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Al(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Nb(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_NbAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.813
_cell_length_b   6.295
_cell_length_c   6.680
_cell_angle_alpha   104.995
_cell_angle_beta   90.000
_cell_angle_gamma   72.369
_symmetry_Int_Tables_number   1
_cell_volume   147.063
_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  0.191  0.618  0.246  1.0
  Nb  Nb1  1  0.809  0.382  0.754  1.0
  Al  Al2  1  0.901  0.197  0.183  1.0
  Al  Al3  1  0.099  0.803  0.817  1.0
  O  O4  1  0.736  0.528  0.171  1.0
  O  O5  1  0.264  0.472  0.829  1.0
  O  O6  1  0.366  0.268  0.196  1.0
  O  O7  1  0.634  0.732  0.804  1.0
  O  O8  1  0.062  0.876  0.122  1.0
  O  O9  1  0.938  0.124  0.878  1.0
  O  O10  1  0.872  0.257  0.475  1.0
  O  O11  1  0.128  0.743  0.525  1.0
[/CIF]
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