The crystal structure described by YbTaO4 crystallizes in the monoclinic P2/c space group. Yb(1) is bonded in a 8-coordinate 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Ta(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_YbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   5.485
_cell_length_c   5.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.815
_symmetry_Int_Tables_number   1
_cell_volume   149.547
_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  0.000  0.750  0.775  1.0
  Yb  Yb1  1  0.000  0.250  0.225  1.0
  Ta  Ta2  1  0.500  0.250  0.720  1.0
  Ta  Ta3  1  0.500  0.750  0.280  1.0
  O  O4  1  0.716  0.015  0.561  1.0
  O  O5  1  0.284  0.485  0.561  1.0
  O  O6  1  0.284  0.985  0.439  1.0
  O  O7  1  0.716  0.515  0.439  1.0
  O  O8  1  0.248  0.594  0.077  1.0
  O  O9  1  0.752  0.906  0.077  1.0
  O  O10  1  0.752  0.406  0.923  1.0
  O  O11  1  0.248  0.094  0.923  1.0
[/CIF]
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The crystal structure described by YbTaO4 crystallizes in the monoclinic P2/c space group. Yb(1) is bonded in a 8-coordinate 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(2) is bonded in a distorted trigonal planar geometry to two equivalent Yb(1) and one Ta(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_YbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.978
_cell_length_b   5.485
_cell_length_c   5.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.815
_symmetry_Int_Tables_number   1
_cell_volume   149.547
_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  0.000  0.750  0.775  1.0
  Yb  Yb1  1  0.000  0.250  0.225  1.0
  Ta  Ta2  1  0.500  0.250  0.720  1.0
  Ta  Ta3  1  0.500  0.750  0.280  1.0
  O  O4  1  0.716  0.015  0.561  1.0
  O  O5  1  0.284  0.485  0.561  1.0
  O  O6  1  0.284  0.985  0.439  1.0
  O  O7  1  0.716  0.515  0.439  1.0
  O  O8  1  0.248  0.594  0.077  1.0
  O  O9  1  0.752  0.906  0.077  1.0
  O  O10  1  0.752  0.406  0.923  1.0
  O  O11  1  0.248  0.094  0.923  1.0
[/CIF]
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