The material structure described by YbTaO4 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OYb2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_YbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   5.349
_cell_length_c   6.438
_cell_angle_alpha   113.088
_cell_angle_beta   111.359
_cell_angle_gamma   93.437
_symmetry_Int_Tables_number   1
_cell_volume   143.667
_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
  Yb  Yb0  1  0.624  0.373  0.247  1.0
  Yb  Yb1  1  0.377  0.627  0.753  1.0
  Ta  Ta2  1  0.149  0.899  0.298  1.0
  Ta  Ta3  1  0.851  0.101  0.702  1.0
  O  O4  1  0.010  0.797  0.554  1.0
  O  O5  1  0.810  0.596  0.063  1.0
  O  O6  1  0.990  0.203  0.446  1.0
  O  O7  1  0.253  0.966  0.063  1.0
  O  O8  1  0.747  0.034  0.937  1.0
  O  O9  1  0.455  0.743  0.446  1.0
  O  O10  1  0.191  0.404  0.937  1.0
  O  O11  1  0.544  0.257  0.554  1.0
[/CIF]
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The material structure described by YbTaO4 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Yb(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OYb2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Yb(1) and one Ta(1) atom. is represented by the CIF file [CIF]
data_YbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   5.349
_cell_length_c   6.438
_cell_angle_alpha   113.088
_cell_angle_beta   111.359
_cell_angle_gamma   93.437
_symmetry_Int_Tables_number   1
_cell_volume   143.667
_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
  Yb  Yb0  1  0.624  0.373  0.247  1.0
  Yb  Yb1  1  0.377  0.627  0.753  1.0
  Ta  Ta2  1  0.149  0.899  0.298  1.0
  Ta  Ta3  1  0.851  0.101  0.702  1.0
  O  O4  1  0.010  0.797  0.554  1.0
  O  O5  1  0.810  0.596  0.063  1.0
  O  O6  1  0.990  0.203  0.446  1.0
  O  O7  1  0.253  0.966  0.063  1.0
  O  O8  1  0.747  0.034  0.937  1.0
  O  O9  1  0.455  0.743  0.446  1.0
  O  O10  1  0.191  0.404  0.937  1.0
  O  O11  1  0.544  0.257  0.554  1.0
[/CIF]
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