The compound described by TaAsO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. As(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. 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 As(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.518
_cell_length_c   11.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.146
_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  0.250  0.121  0.750  1.0
  Ta  Ta1  1  0.250  0.379  0.250  1.0
  Ta  Ta2  1  0.750  0.621  0.750  1.0
  Ta  Ta3  1  0.750  0.879  0.250  1.0
  As  As4  1  0.651  0.250  0.000  1.0
  As  As5  1  0.849  0.250  0.500  1.0
  As  As6  1  0.349  0.750  0.000  1.0
  As  As7  1  0.151  0.750  0.500  1.0
  O  O8  1  0.087  0.084  0.590  1.0
  O  O9  1  0.413  0.084  0.910  1.0
  O  O10  1  0.996  0.145  0.200  1.0
  O  O11  1  0.504  0.145  0.300  1.0
  O  O12  1  0.504  0.355  0.700  1.0
  O  O13  1  0.996  0.355  0.800  1.0
  O  O14  1  0.413  0.416  0.090  1.0
  O  O15  1  0.087  0.416  0.410  1.0
  O  O16  1  0.587  0.584  0.910  1.0
  O  O17  1  0.913  0.584  0.590  1.0
  O  O18  1  0.004  0.645  0.200  1.0
  O  O19  1  0.496  0.645  0.300  1.0
  O  O20  1  0.496  0.855  0.700  1.0
  O  O21  1  0.004  0.855  0.800  1.0
  O  O22  1  0.587  0.916  0.090  1.0
  O  O23  1  0.913  0.916  0.410  1.0
[/CIF]
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The compound described by TaAsO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 35°. As(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. 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 As(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   5.518
_cell_length_c   11.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.146
_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  0.250  0.121  0.750  1.0
  Ta  Ta1  1  0.250  0.379  0.250  1.0
  Ta  Ta2  1  0.750  0.621  0.750  1.0
  Ta  Ta3  1  0.750  0.879  0.250  1.0
  As  As4  1  0.651  0.250  0.000  1.0
  As  As5  1  0.849  0.250  0.500  1.0
  As  As6  1  0.349  0.750  0.000  1.0
  As  As7  1  0.151  0.750  0.500  1.0
  O  O8  1  0.087  0.084  0.590  1.0
  O  O9  1  0.413  0.084  0.910  1.0
  O  O10  1  0.996  0.145  0.200  1.0
  O  O11  1  0.504  0.145  0.300  1.0
  O  O12  1  0.504  0.355  0.700  1.0
  O  O13  1  0.996  0.355  0.800  1.0
  O  O14  1  0.413  0.416  0.090  1.0
  O  O15  1  0.087  0.416  0.410  1.0
  O  O16  1  0.587  0.584  0.910  1.0
  O  O17  1  0.913  0.584  0.590  1.0
  O  O18  1  0.004  0.645  0.200  1.0
  O  O19  1  0.496  0.645  0.300  1.0
  O  O20  1  0.496  0.855  0.700  1.0
  O  O21  1  0.004  0.855  0.800  1.0
  O  O22  1  0.587  0.916  0.090  1.0
  O  O23  1  0.913  0.916  0.410  1.0
[/CIF]
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