The material structure described by YbCuGaO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted YbO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids, corners with three equivalent Ga(1)O5 trigonal bipyramids, and edges with six equivalent Yb(1)O6 octahedra. Cu(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form CuO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Cu(1)O5 trigonal bipyramids, and edges with three equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Ga(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form GaO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Ga(1)O5 trigonal bipyramids, and edges with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Yb(1) and one Cu(1) atom to form distorted OYb3Cu tetrahedra that share corners with three equivalent O(2)Yb3Ga tetrahedra, corners with six equivalent O(1)Yb3Cu tetrahedra,  a cornercorner with one O(3)Ga3Cu trigonal pyramid, corners with three equivalent O(4)GaCu3 trigonal pyramids, and edges with three equivalent O(2)Yb3Ga tetrahedra. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Ga(1) atom to form distorted OYb3Ga tetrahedra that share corners with three equivalent O(1)Yb3Cu tetrahedra, corners with six equivalent O(2)Yb3Ga tetrahedra,  a cornercorner with one O(4)GaCu3 trigonal pyramid, corners with three equivalent O(3)Ga3Cu trigonal pyramids, and edges with three equivalent O(1)Yb3Cu tetrahedra. In the third O site, O(3) is bonded to one Cu(1) and three equivalent Ga(1) atoms to form OGa3Cu trigonal pyramids that share  a cornercorner with one O(1)Yb3Cu tetrahedra, corners with three equivalent O(2)Yb3Ga tetrahedra, corners with six equivalent O(3)Ga3Cu trigonal pyramids, and edges with three equivalent O(4)GaCu3 trigonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Cu(1) and one Ga(1) atom to form OGaCu3 trigonal pyramids that share  a cornercorner with one O(2)Yb3Ga tetrahedra, corners with three equivalent O(1)Yb3Cu tetrahedra, corners with six equivalent O(4)GaCu3 trigonal pyramids, and edges with three equivalent O(3)Ga3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_YbGaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.318
_cell_length_b   8.318
_cell_length_c   8.318
_cell_angle_alpha   24.419
_cell_angle_beta   24.419
_cell_angle_gamma   24.419
_symmetry_Int_Tables_number   1
_cell_volume   86.481
_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
  Yb  Yb0  1  0.997  0.997  0.997  1.0
  Ga  Ga1  1  0.786  0.786  0.786  1.0
  Cu  Cu2  1  0.212  0.212  0.212  1.0
  O  O3  1  0.285  0.285  0.285  1.0
  O  O4  1  0.712  0.712  0.712  1.0
  O  O5  1  0.132  0.132  0.132  1.0
  O  O6  1  0.868  0.868  0.868  1.0
[/CIF]
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The material structure described by YbCuGaO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Yb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted YbO6 octahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids, corners with three equivalent Ga(1)O5 trigonal bipyramids, and edges with six equivalent Yb(1)O6 octahedra. Cu(1) is bonded to one O(1), one O(3), and three equivalent O(4) atoms to form CuO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Cu(1)O5 trigonal bipyramids, and edges with three equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. Ga(1) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form GaO5 trigonal bipyramids that share corners with three equivalent Yb(1)O6 octahedra, corners with six equivalent Ga(1)O5 trigonal bipyramids, and edges with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Yb(1) and one Cu(1) atom to form distorted OYb3Cu tetrahedra that share corners with three equivalent O(2)Yb3Ga tetrahedra, corners with six equivalent O(1)Yb3Cu tetrahedra,  a cornercorner with one O(3)Ga3Cu trigonal pyramid, corners with three equivalent O(4)GaCu3 trigonal pyramids, and edges with three equivalent O(2)Yb3Ga tetrahedra. In the second O site, O(2) is bonded to three equivalent Yb(1) and one Ga(1) atom to form distorted OYb3Ga tetrahedra that share corners with three equivalent O(1)Yb3Cu tetrahedra, corners with six equivalent O(2)Yb3Ga tetrahedra,  a cornercorner with one O(4)GaCu3 trigonal pyramid, corners with three equivalent O(3)Ga3Cu trigonal pyramids, and edges with three equivalent O(1)Yb3Cu tetrahedra. In the third O site, O(3) is bonded to one Cu(1) and three equivalent Ga(1) atoms to form OGa3Cu trigonal pyramids that share  a cornercorner with one O(1)Yb3Cu tetrahedra, corners with three equivalent O(2)Yb3Ga tetrahedra, corners with six equivalent O(3)Ga3Cu trigonal pyramids, and edges with three equivalent O(4)GaCu3 trigonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Cu(1) and one Ga(1) atom to form OGaCu3 trigonal pyramids that share  a cornercorner with one O(2)Yb3Ga tetrahedra, corners with three equivalent O(1)Yb3Cu tetrahedra, corners with six equivalent O(4)GaCu3 trigonal pyramids, and edges with three equivalent O(3)Ga3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_YbGaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.318
_cell_length_b   8.318
_cell_length_c   8.318
_cell_angle_alpha   24.419
_cell_angle_beta   24.419
_cell_angle_gamma   24.419
_symmetry_Int_Tables_number   1
_cell_volume   86.481
_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
  Yb  Yb0  1  0.997  0.997  0.997  1.0
  Ga  Ga1  1  0.786  0.786  0.786  1.0
  Cu  Cu2  1  0.212  0.212  0.212  1.0
  O  O3  1  0.285  0.285  0.285  1.0
  O  O4  1  0.712  0.712  0.712  1.0
  O  O5  1  0.132  0.132  0.132  1.0
  O  O6  1  0.868  0.868  0.868  1.0
[/CIF]
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