The compound described by LiGdO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 18-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Gd(1) atoms to form distorted OLiGd3 tetrahedra that share corners with seven equivalent O(2)Li2Gd3 square pyramids, corners with four equivalent O(1)LiGd3 tetrahedra, edges with two equivalent O(2)Li2Gd3 square pyramids, and  an edgeedge with one O(1)LiGd3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Gd(1) atoms to form distorted OLi2Gd3 square pyramids that share corners with two equivalent O(2)Li2Gd3 square pyramids, corners with seven equivalent O(1)LiGd3 tetrahedra, edges with three equivalent O(2)Li2Gd3 square pyramids, and edges with two equivalent O(1)LiGd3 tetrahedra. is represented by the CIF file [CIF]
data_LiGdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.350
_cell_length_c   6.494
_cell_angle_alpha   59.696
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.286
_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  0.162  0.694  0.586  1.0
  Li  Li1  1  0.662  0.306  0.914  1.0
  Li  Li2  1  0.338  0.694  0.086  1.0
  Li  Li3  1  0.838  0.306  0.414  1.0
  Gd  Gd4  1  0.866  0.773  0.969  1.0
  Gd  Gd5  1  0.634  0.773  0.469  1.0
  Gd  Gd6  1  0.366  0.227  0.531  1.0
  Gd  Gd7  1  0.134  0.227  0.031  1.0
  O  O8  1  0.187  0.976  0.870  1.0
  O  O9  1  0.313  0.976  0.370  1.0
  O  O10  1  0.895  0.551  0.763  1.0
  O  O11  1  0.395  0.449  0.737  1.0
  O  O12  1  0.605  0.551  0.263  1.0
  O  O13  1  0.105  0.449  0.237  1.0
  O  O14  1  0.687  0.024  0.630  1.0
  O  O15  1  0.813  0.024  0.130  1.0
[/CIF]
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The compound described by LiGdO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. Gd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 18-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Gd(1) atoms to form distorted OLiGd3 tetrahedra that share corners with seven equivalent O(2)Li2Gd3 square pyramids, corners with four equivalent O(1)LiGd3 tetrahedra, edges with two equivalent O(2)Li2Gd3 square pyramids, and  an edgeedge with one O(1)LiGd3 tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Gd(1) atoms to form distorted OLi2Gd3 square pyramids that share corners with two equivalent O(2)Li2Gd3 square pyramids, corners with seven equivalent O(1)LiGd3 tetrahedra, edges with three equivalent O(2)Li2Gd3 square pyramids, and edges with two equivalent O(1)LiGd3 tetrahedra. is represented by the CIF file [CIF]
data_LiGdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   6.350
_cell_length_c   6.494
_cell_angle_alpha   59.696
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   217.286
_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  0.162  0.694  0.586  1.0
  Li  Li1  1  0.662  0.306  0.914  1.0
  Li  Li2  1  0.338  0.694  0.086  1.0
  Li  Li3  1  0.838  0.306  0.414  1.0
  Gd  Gd4  1  0.866  0.773  0.969  1.0
  Gd  Gd5  1  0.634  0.773  0.469  1.0
  Gd  Gd6  1  0.366  0.227  0.531  1.0
  Gd  Gd7  1  0.134  0.227  0.031  1.0
  O  O8  1  0.187  0.976  0.870  1.0
  O  O9  1  0.313  0.976  0.370  1.0
  O  O10  1  0.895  0.551  0.763  1.0
  O  O11  1  0.395  0.449  0.737  1.0
  O  O12  1  0.605  0.551  0.263  1.0
  O  O13  1  0.105  0.449  0.237  1.0
  O  O14  1  0.687  0.024  0.630  1.0
  O  O15  1  0.813  0.024  0.130  1.0
[/CIF]
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