The material described by YCu7O12 crystallizes in the cubic Im-3 space group. Y(1) is bonded to twelve equivalent O(1) atoms to form YO12 cuboctahedra that share faces with eight equivalent Cu(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one Y(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_YCu7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.256
_cell_length_c   6.256
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   188.449
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.307  0.830  0.136  1.0
  O  O9  1  0.693  0.170  0.864  1.0
  O  O10  1  0.693  0.830  0.523  1.0
  O  O11  1  0.864  0.693  0.170  1.0
  O  O12  1  0.830  0.136  0.307  1.0
  O  O13  1  0.170  0.477  0.307  1.0
  O  O14  1  0.477  0.307  0.170  1.0
  O  O15  1  0.170  0.864  0.693  1.0
  O  O16  1  0.307  0.170  0.477  1.0
  O  O17  1  0.136  0.307  0.830  1.0
  O  O18  1  0.830  0.523  0.693  1.0
  O  O19  1  0.523  0.693  0.830  1.0
[/CIF]
.
The material described by YCu7O12 crystallizes in the cubic Im-3 space group. Y(1) is bonded to twelve equivalent O(1) atoms to form YO12 cuboctahedra that share faces with eight equivalent Cu(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to six equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one Y(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_YCu7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.256
_cell_length_c   6.256
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   188.449
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.000  1.0
  Cu  Cu7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.307  0.830  0.136  1.0
  O  O9  1  0.693  0.170  0.864  1.0
  O  O10  1  0.693  0.830  0.523  1.0
  O  O11  1  0.864  0.693  0.170  1.0
  O  O12  1  0.830  0.136  0.307  1.0
  O  O13  1  0.170  0.477  0.307  1.0
  O  O14  1  0.477  0.307  0.170  1.0
  O  O15  1  0.170  0.864  0.693  1.0
  O  O16  1  0.307  0.170  0.477  1.0
  O  O17  1  0.136  0.307  0.830  1.0
  O  O18  1  0.830  0.523  0.693  1.0
  O  O19  1  0.523  0.693  0.830  1.0
[/CIF]
.