The compound described by LiDyO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Dy(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-74°. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form DyO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Dy(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Dy(1) atoms to form distorted OLiDy3 trigonal pyramids that share corners with six equivalent O(2)Li3Dy3 octahedra, corners with six equivalent O(1)LiDy3 trigonal pyramids, and edges with three equivalent O(2)Li3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 1-81°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Dy(1) atoms to form distorted OLi3Dy3 octahedra that share corners with six equivalent O(1)LiDy3 trigonal pyramids, edges with six equivalent O(2)Li3Dy3 octahedra, and edges with three equivalent O(1)LiDy3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   3.362
_cell_length_c   5.257
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.800
_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
  Li  Li0  1  0.066  0.250  0.099  1.0
  Li  Li1  1  0.566  0.250  0.401  1.0
  Li  Li2  1  0.434  0.750  0.599  1.0
  Li  Li3  1  0.934  0.750  0.901  1.0
  Dy  Dy4  1  0.359  0.250  0.047  1.0
  Dy  Dy5  1  0.859  0.250  0.453  1.0
  Dy  Dy6  1  0.141  0.750  0.547  1.0
  Dy  Dy7  1  0.641  0.750  0.953  1.0
  O  O8  1  0.705  0.250  0.193  1.0
  O  O9  1  0.474  0.750  0.244  1.0
  O  O10  1  0.974  0.750  0.256  1.0
  O  O11  1  0.205  0.250  0.307  1.0
  O  O12  1  0.795  0.750  0.693  1.0
  O  O13  1  0.026  0.250  0.744  1.0
  O  O14  1  0.526  0.250  0.756  1.0
  O  O15  1  0.295  0.750  0.807  1.0
[/CIF]
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The compound described by LiDyO2 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Dy(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with three equivalent Dy(1)O6 octahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-74°. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form DyO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with four equivalent Dy(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Dy(1) atoms to form distorted OLiDy3 trigonal pyramids that share corners with six equivalent O(2)Li3Dy3 octahedra, corners with six equivalent O(1)LiDy3 trigonal pyramids, and edges with three equivalent O(2)Li3Dy3 octahedra. The corner-sharing octahedral tilt angles range from 1-81°. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Dy(1) atoms to form distorted OLi3Dy3 octahedra that share corners with six equivalent O(1)LiDy3 trigonal pyramids, edges with six equivalent O(2)Li3Dy3 octahedra, and edges with three equivalent O(1)LiDy3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiDyO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   3.362
_cell_length_c   5.257
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.800
_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
  Li  Li0  1  0.066  0.250  0.099  1.0
  Li  Li1  1  0.566  0.250  0.401  1.0
  Li  Li2  1  0.434  0.750  0.599  1.0
  Li  Li3  1  0.934  0.750  0.901  1.0
  Dy  Dy4  1  0.359  0.250  0.047  1.0
  Dy  Dy5  1  0.859  0.250  0.453  1.0
  Dy  Dy6  1  0.141  0.750  0.547  1.0
  Dy  Dy7  1  0.641  0.750  0.953  1.0
  O  O8  1  0.705  0.250  0.193  1.0
  O  O9  1  0.474  0.750  0.244  1.0
  O  O10  1  0.974  0.750  0.256  1.0
  O  O11  1  0.205  0.250  0.307  1.0
  O  O12  1  0.795  0.750  0.693  1.0
  O  O13  1  0.026  0.250  0.744  1.0
  O  O14  1  0.526  0.250  0.756  1.0
  O  O15  1  0.295  0.750  0.807  1.0
[/CIF]
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