The crystal structure described by TmOOH crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 59°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Tm(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Tm(1) and one H(1) atom to form distorted corner-sharing OTm3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   10.676
_cell_length_c   3.432
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.415
_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
  Tm  Tm0  1  0.097  0.856  0.250  1.0
  Tm  Tm1  1  0.403  0.356  0.250  1.0
  Tm  Tm2  1  0.597  0.644  0.750  1.0
  Tm  Tm3  1  0.903  0.144  0.750  1.0
  H  H4  1  0.135  0.599  0.250  1.0
  H  H5  1  0.365  0.099  0.250  1.0
  H  H6  1  0.635  0.901  0.750  1.0
  H  H7  1  0.865  0.401  0.750  1.0
  O  O8  1  0.178  0.066  0.250  1.0
  O  O9  1  0.156  0.310  0.750  1.0
  O  O10  1  0.344  0.810  0.750  1.0
  O  O11  1  0.322  0.566  0.250  1.0
  O  O12  1  0.678  0.434  0.750  1.0
  O  O13  1  0.656  0.190  0.250  1.0
  O  O14  1  0.844  0.690  0.250  1.0
  O  O15  1  0.822  0.934  0.750  1.0
[/CIF]
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The crystal structure described by TmOOH crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 59°. H(1) is bonded in a single-bond geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Tm(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Tm(1) and one H(1) atom to form distorted corner-sharing OTm3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.952
_cell_length_b   10.676
_cell_length_c   3.432
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.415
_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
  Tm  Tm0  1  0.097  0.856  0.250  1.0
  Tm  Tm1  1  0.403  0.356  0.250  1.0
  Tm  Tm2  1  0.597  0.644  0.750  1.0
  Tm  Tm3  1  0.903  0.144  0.750  1.0
  H  H4  1  0.135  0.599  0.250  1.0
  H  H5  1  0.365  0.099  0.250  1.0
  H  H6  1  0.635  0.901  0.750  1.0
  H  H7  1  0.865  0.401  0.750  1.0
  O  O8  1  0.178  0.066  0.250  1.0
  O  O9  1  0.156  0.310  0.750  1.0
  O  O10  1  0.344  0.810  0.750  1.0
  O  O11  1  0.322  0.566  0.250  1.0
  O  O12  1  0.678  0.434  0.750  1.0
  O  O13  1  0.656  0.190  0.250  1.0
  O  O14  1  0.844  0.690  0.250  1.0
  O  O15  1  0.822  0.934  0.750  1.0
[/CIF]
.