The compound described by TaAlO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_TaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   4.760
_cell_length_c   11.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.353
_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
  Ta  Ta0  1  0.500  0.750  0.668  1.0
  Ta  Ta1  1  0.000  0.250  0.832  1.0
  Ta  Ta2  1  0.500  0.250  0.332  1.0
  Ta  Ta3  1  0.000  0.750  0.168  1.0
  Al  Al4  1  0.500  0.750  0.935  1.0
  Al  Al5  1  0.000  0.250  0.565  1.0
  Al  Al6  1  0.500  0.250  0.065  1.0
  Al  Al7  1  0.000  0.750  0.435  1.0
  O  O8  1  0.732  0.423  0.943  1.0
  O  O9  1  0.232  0.577  0.557  1.0
  O  O10  1  0.768  0.923  0.557  1.0
  O  O11  1  0.268  0.077  0.943  1.0
  O  O12  1  0.268  0.577  0.057  1.0
  O  O13  1  0.768  0.423  0.443  1.0
  O  O14  1  0.232  0.077  0.443  1.0
  O  O15  1  0.732  0.923  0.057  1.0
  O  O16  1  0.774  0.919  0.313  1.0
  O  O17  1  0.274  0.081  0.187  1.0
  O  O18  1  0.726  0.419  0.187  1.0
  O  O19  1  0.226  0.581  0.313  1.0
  O  O20  1  0.226  0.081  0.687  1.0
  O  O21  1  0.726  0.919  0.813  1.0
  O  O22  1  0.274  0.581  0.813  1.0
  O  O23  1  0.774  0.419  0.687  1.0
[/CIF]
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The compound described by TaAlO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_TaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.475
_cell_length_b   4.760
_cell_length_c   11.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.353
_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
  Ta  Ta0  1  0.500  0.750  0.668  1.0
  Ta  Ta1  1  0.000  0.250  0.832  1.0
  Ta  Ta2  1  0.500  0.250  0.332  1.0
  Ta  Ta3  1  0.000  0.750  0.168  1.0
  Al  Al4  1  0.500  0.750  0.935  1.0
  Al  Al5  1  0.000  0.250  0.565  1.0
  Al  Al6  1  0.500  0.250  0.065  1.0
  Al  Al7  1  0.000  0.750  0.435  1.0
  O  O8  1  0.732  0.423  0.943  1.0
  O  O9  1  0.232  0.577  0.557  1.0
  O  O10  1  0.768  0.923  0.557  1.0
  O  O11  1  0.268  0.077  0.943  1.0
  O  O12  1  0.268  0.577  0.057  1.0
  O  O13  1  0.768  0.423  0.443  1.0
  O  O14  1  0.232  0.077  0.443  1.0
  O  O15  1  0.732  0.923  0.057  1.0
  O  O16  1  0.774  0.919  0.313  1.0
  O  O17  1  0.274  0.081  0.187  1.0
  O  O18  1  0.726  0.419  0.187  1.0
  O  O19  1  0.226  0.581  0.313  1.0
  O  O20  1  0.226  0.081  0.687  1.0
  O  O21  1  0.726  0.919  0.813  1.0
  O  O22  1  0.274  0.581  0.813  1.0
  O  O23  1  0.774  0.419  0.687  1.0
[/CIF]
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