The structure described by YbOOH crystallizes in the tetragonal P-42_1m space group. Yb(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Yb(1) atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Yb(1) atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one H(1) atom. is represented by the CIF file [CIF]
data_YbHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   5.425
_cell_length_c   5.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.952
_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
  Yb  Yb0  1  0.288  0.788  0.735  1.0
  Yb  Yb1  1  0.212  0.288  0.265  1.0
  Yb  Yb2  1  0.712  0.212  0.735  1.0
  Yb  Yb3  1  0.788  0.712  0.265  1.0
  H  H4  1  0.295  0.795  0.215  1.0
  H  H5  1  0.205  0.295  0.785  1.0
  H  H6  1  0.705  0.205  0.215  1.0
  H  H7  1  0.795  0.705  0.785  1.0
  O  O8  1  0.000  0.500  0.571  1.0
  O  O9  1  0.500  0.000  0.429  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.191  0.691  0.116  1.0
  O  O13  1  0.309  0.191  0.884  1.0
  O  O14  1  0.809  0.309  0.116  1.0
  O  O15  1  0.691  0.809  0.884  1.0
[/CIF]
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The structure described by YbOOH crystallizes in the tetragonal P-42_1m space group. Yb(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Yb(1) atoms to form a mixture of distorted edge and corner-sharing OYb4 tetrahedra. In the second O site, O(2) is bonded to four equivalent Yb(1) atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Yb(1) and one H(1) atom. is represented by the CIF file [CIF]
data_YbHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.425
_cell_length_b   5.425
_cell_length_c   5.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.952
_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
  Yb  Yb0  1  0.288  0.788  0.735  1.0
  Yb  Yb1  1  0.212  0.288  0.265  1.0
  Yb  Yb2  1  0.712  0.212  0.735  1.0
  Yb  Yb3  1  0.788  0.712  0.265  1.0
  H  H4  1  0.295  0.795  0.215  1.0
  H  H5  1  0.205  0.295  0.785  1.0
  H  H6  1  0.705  0.205  0.215  1.0
  H  H7  1  0.795  0.705  0.785  1.0
  O  O8  1  0.000  0.500  0.571  1.0
  O  O9  1  0.500  0.000  0.429  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.500  0.500  0.500  1.0
  O  O12  1  0.191  0.691  0.116  1.0
  O  O13  1  0.309  0.191  0.884  1.0
  O  O14  1  0.809  0.309  0.116  1.0
  O  O15  1  0.691  0.809  0.884  1.0
[/CIF]
.