The structure described by TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   5.502
_cell_length_c   5.502
_cell_angle_alpha   107.104
_cell_angle_beta   107.104
_cell_angle_gamma   114.317
_symmetry_Int_Tables_number   1
_cell_volume   127.518
_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
  Ta  Ta0  1  0.262  0.762  0.500  1.0
  Ta  Ta1  1  0.012  0.012  0.000  1.0
  Al  Al2  1  0.751  0.251  0.500  1.0
  Al  Al3  1  0.501  0.501  0.000  1.0
  O  O4  1  0.934  0.740  0.194  1.0
  O  O5  1  0.453  0.253  0.200  1.0
  O  O6  1  0.990  0.297  0.306  1.0
  O  O7  1  0.503  0.804  0.300  1.0
  O  O8  1  0.990  0.684  0.694  1.0
  O  O9  1  0.503  0.203  0.700  1.0
  O  O10  1  0.054  0.253  0.800  1.0
  O  O11  1  0.547  0.740  0.806  1.0
[/CIF]
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The structure described by TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.502
_cell_length_b   5.502
_cell_length_c   5.502
_cell_angle_alpha   107.104
_cell_angle_beta   107.104
_cell_angle_gamma   114.317
_symmetry_Int_Tables_number   1
_cell_volume   127.518
_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
  Ta  Ta0  1  0.262  0.762  0.500  1.0
  Ta  Ta1  1  0.012  0.012  0.000  1.0
  Al  Al2  1  0.751  0.251  0.500  1.0
  Al  Al3  1  0.501  0.501  0.000  1.0
  O  O4  1  0.934  0.740  0.194  1.0
  O  O5  1  0.453  0.253  0.200  1.0
  O  O6  1  0.990  0.297  0.306  1.0
  O  O7  1  0.503  0.804  0.300  1.0
  O  O8  1  0.990  0.684  0.694  1.0
  O  O9  1  0.503  0.203  0.700  1.0
  O  O10  1  0.054  0.253  0.800  1.0
  O  O11  1  0.547  0.740  0.806  1.0
[/CIF]
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