The compound described by ScOOH crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent O(1) atoms to form edge-sharing ScO6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Sc(1) and one H(1) atom to form a mixture of distorted corner and edge-sharing OSc3H tetrahedra. is represented by the CIF card [CIF]
data_ScHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   4.900
_cell_angle_alpha   38.524
_cell_angle_beta   38.524
_cell_angle_gamma   38.524
_symmetry_Int_Tables_number   1
_cell_volume   41.018
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.410  0.410  0.410  1.0
  O  O3  1  0.590  0.590  0.590  1.0
[/CIF]
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The compound described by ScOOH crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent O(1) atoms to form edge-sharing ScO6 octahedra. H(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Sc(1) and one H(1) atom to form a mixture of distorted corner and edge-sharing OSc3H tetrahedra. is represented by the CIF card [CIF]
data_ScHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.900
_cell_length_b   4.900
_cell_length_c   4.900
_cell_angle_alpha   38.524
_cell_angle_beta   38.524
_cell_angle_gamma   38.524
_symmetry_Int_Tables_number   1
_cell_volume   41.018
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.410  0.410  0.410  1.0
  O  O3  1  0.590  0.590  0.590  1.0
[/CIF]
.