The structure described by TaAsO4 crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 17-28°. As(1) is bonded in a distorted square co-planar geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ta(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent As(1) atoms. In the fourth O site, O(4) is bonded in a linear 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   7.569
_cell_length_b   7.569
_cell_length_c   5.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.826
_symmetry_Int_Tables_number   1
_cell_volume   163.509
_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  0.591  0.409  0.699  1.0
  Ta  Ta1  1  0.409  0.591  0.199  1.0
  As  As2  1  0.821  0.179  0.809  1.0
  As  As3  1  0.179  0.821  0.309  1.0
  O  O4  1  0.892  0.108  0.123  1.0
  O  O5  1  0.704  0.296  0.897  1.0
  O  O6  1  0.673  0.327  0.410  1.0
  O  O7  1  0.517  0.483  0.976  1.0
  O  O8  1  0.483  0.517  0.476  1.0
  O  O9  1  0.327  0.673  0.910  1.0
  O  O10  1  0.296  0.704  0.397  1.0
  O  O11  1  0.108  0.892  0.623  1.0
[/CIF]
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The structure described by TaAsO4 crystallizes in the orthorhombic Cmc2_1 space group. Ta(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 17-28°. As(1) is bonded in a distorted square co-planar geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ta(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent As(1) atoms. In the fourth O site, O(4) is bonded in a linear 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   7.569
_cell_length_b   7.569
_cell_length_c   5.678
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.826
_symmetry_Int_Tables_number   1
_cell_volume   163.509
_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  0.591  0.409  0.699  1.0
  Ta  Ta1  1  0.409  0.591  0.199  1.0
  As  As2  1  0.821  0.179  0.809  1.0
  As  As3  1  0.179  0.821  0.309  1.0
  O  O4  1  0.892  0.108  0.123  1.0
  O  O5  1  0.704  0.296  0.897  1.0
  O  O6  1  0.673  0.327  0.410  1.0
  O  O7  1  0.517  0.483  0.976  1.0
  O  O8  1  0.483  0.517  0.476  1.0
  O  O9  1  0.327  0.673  0.910  1.0
  O  O10  1  0.296  0.704  0.397  1.0
  O  O11  1  0.108  0.892  0.623  1.0
[/CIF]
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