The compound described by SbTaO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing TaO6 octahedra. Sb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_TaSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.355
_cell_length_c   10.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.659
_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  0.750  0.995  0.500  1.0
  Ta  Ta1  1  0.250  0.005  0.500  1.0
  Ta  Ta2  1  0.750  0.505  0.000  1.0
  Ta  Ta3  1  0.250  0.495  0.000  1.0
  Sb  Sb4  1  0.980  0.750  0.250  1.0
  Sb  Sb5  1  0.520  0.750  0.750  1.0
  Sb  Sb6  1  0.020  0.250  0.750  1.0
  Sb  Sb7  1  0.480  0.250  0.250  1.0
  O  O8  1  0.482  0.704  0.979  1.0
  O  O9  1  0.982  0.296  0.979  1.0
  O  O10  1  0.755  0.951  0.688  1.0
  O  O11  1  0.745  0.951  0.312  1.0
  O  O12  1  0.518  0.204  0.479  1.0
  O  O13  1  0.245  0.451  0.188  1.0
  O  O14  1  0.482  0.796  0.521  1.0
  O  O15  1  0.255  0.049  0.688  1.0
  O  O16  1  0.982  0.204  0.521  1.0
  O  O17  1  0.018  0.796  0.479  1.0
  O  O18  1  0.255  0.451  0.812  1.0
  O  O19  1  0.245  0.049  0.312  1.0
  O  O20  1  0.518  0.296  0.021  1.0
  O  O21  1  0.755  0.549  0.812  1.0
  O  O22  1  0.018  0.704  0.021  1.0
  O  O23  1  0.745  0.549  0.188  1.0
[/CIF]
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The compound described by SbTaO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing TaO6 octahedra. Sb(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Sb(1) atoms. is represented by the CIF card [CIF]
data_TaSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.355
_cell_length_c   10.468
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.659
_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  0.750  0.995  0.500  1.0
  Ta  Ta1  1  0.250  0.005  0.500  1.0
  Ta  Ta2  1  0.750  0.505  0.000  1.0
  Ta  Ta3  1  0.250  0.495  0.000  1.0
  Sb  Sb4  1  0.980  0.750  0.250  1.0
  Sb  Sb5  1  0.520  0.750  0.750  1.0
  Sb  Sb6  1  0.020  0.250  0.750  1.0
  Sb  Sb7  1  0.480  0.250  0.250  1.0
  O  O8  1  0.482  0.704  0.979  1.0
  O  O9  1  0.982  0.296  0.979  1.0
  O  O10  1  0.755  0.951  0.688  1.0
  O  O11  1  0.745  0.951  0.312  1.0
  O  O12  1  0.518  0.204  0.479  1.0
  O  O13  1  0.245  0.451  0.188  1.0
  O  O14  1  0.482  0.796  0.521  1.0
  O  O15  1  0.255  0.049  0.688  1.0
  O  O16  1  0.982  0.204  0.521  1.0
  O  O17  1  0.018  0.796  0.479  1.0
  O  O18  1  0.255  0.451  0.812  1.0
  O  O19  1  0.245  0.049  0.312  1.0
  O  O20  1  0.518  0.296  0.021  1.0
  O  O21  1  0.755  0.549  0.812  1.0
  O  O22  1  0.018  0.704  0.021  1.0
  O  O23  1  0.745  0.549  0.188  1.0
[/CIF]
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