The compound described by Lu(OH)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Lu site, Lu(2) is bonded to six equivalent O(1) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to 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 one Lu(1), one Lu(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Lu(1) and one H(2) atom. is represented by the CIF card [CIF]
data_Lu(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.026
_cell_length_b   7.026
_cell_length_c   7.026
_cell_angle_alpha   109.709
_cell_angle_beta   109.709
_cell_angle_gamma   109.709
_symmetry_Int_Tables_number   1
_cell_volume   264.601
_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
  Lu  Lu0  1  0.500  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.000  0.000  0.500  1.0
  Lu  Lu3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.643  0.957  0.684  1.0
  H  H5  1  0.357  0.043  0.316  1.0
  H  H6  1  0.720  0.170  0.547  1.0
  H  H7  1  0.280  0.830  0.453  1.0
  H  H8  1  0.453  0.280  0.830  1.0
  H  H9  1  0.547  0.720  0.170  1.0
  H  H10  1  0.316  0.357  0.043  1.0
  H  H11  1  0.684  0.643  0.957  1.0
  H  H12  1  0.043  0.316  0.357  1.0
  H  H13  1  0.957  0.684  0.643  1.0
  H  H14  1  0.830  0.453  0.280  1.0
  H  H15  1  0.170  0.547  0.720  1.0
  O  O16  1  0.520  0.836  0.686  1.0
  O  O17  1  0.480  0.164  0.314  1.0
  O  O18  1  0.840  0.170  0.671  1.0
  O  O19  1  0.160  0.830  0.329  1.0
  O  O20  1  0.329  0.160  0.830  1.0
  O  O21  1  0.671  0.840  0.170  1.0
  O  O22  1  0.314  0.480  0.164  1.0
  O  O23  1  0.686  0.520  0.836  1.0
  O  O24  1  0.164  0.314  0.480  1.0
  O  O25  1  0.836  0.686  0.520  1.0
  O  O26  1  0.830  0.329  0.160  1.0
  O  O27  1  0.170  0.671  0.840  1.0
[/CIF]
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The compound described by Lu(OH)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Lu site, Lu(2) is bonded to six equivalent O(1) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to 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 one Lu(1), one Lu(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Lu(1) and one H(2) atom. is represented by the CIF card [CIF]
data_Lu(HO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.026
_cell_length_b   7.026
_cell_length_c   7.026
_cell_angle_alpha   109.709
_cell_angle_beta   109.709
_cell_angle_gamma   109.709
_symmetry_Int_Tables_number   1
_cell_volume   264.601
_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
  Lu  Lu0  1  0.500  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  Lu  Lu2  1  0.000  0.000  0.500  1.0
  Lu  Lu3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.643  0.957  0.684  1.0
  H  H5  1  0.357  0.043  0.316  1.0
  H  H6  1  0.720  0.170  0.547  1.0
  H  H7  1  0.280  0.830  0.453  1.0
  H  H8  1  0.453  0.280  0.830  1.0
  H  H9  1  0.547  0.720  0.170  1.0
  H  H10  1  0.316  0.357  0.043  1.0
  H  H11  1  0.684  0.643  0.957  1.0
  H  H12  1  0.043  0.316  0.357  1.0
  H  H13  1  0.957  0.684  0.643  1.0
  H  H14  1  0.830  0.453  0.280  1.0
  H  H15  1  0.170  0.547  0.720  1.0
  O  O16  1  0.520  0.836  0.686  1.0
  O  O17  1  0.480  0.164  0.314  1.0
  O  O18  1  0.840  0.170  0.671  1.0
  O  O19  1  0.160  0.830  0.329  1.0
  O  O20  1  0.329  0.160  0.830  1.0
  O  O21  1  0.671  0.840  0.170  1.0
  O  O22  1  0.314  0.480  0.164  1.0
  O  O23  1  0.686  0.520  0.836  1.0
  O  O24  1  0.164  0.314  0.480  1.0
  O  O25  1  0.836  0.686  0.520  1.0
  O  O26  1  0.830  0.329  0.160  1.0
  O  O27  1  0.170  0.671  0.840  1.0
[/CIF]
.