The structure described by YCu3(SnO3)4 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 Sn(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. O(1) is bonded to one Y(1), one Cu(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OYCuSn2 tetrahedra. is represented by the CIF card [CIF]
data_YCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   6.746
_cell_length_c   6.746
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.365
_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  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.297  0.129  0.832  1.0
  O  O9  1  0.703  0.871  0.168  1.0
  O  O10  1  0.703  0.535  0.832  1.0
  O  O11  1  0.465  0.168  0.297  1.0
  O  O12  1  0.168  0.297  0.465  1.0
  O  O13  1  0.832  0.297  0.129  1.0
  O  O14  1  0.871  0.168  0.703  1.0
  O  O15  1  0.832  0.703  0.535  1.0
  O  O16  1  0.297  0.465  0.168  1.0
  O  O17  1  0.535  0.832  0.703  1.0
  O  O18  1  0.168  0.703  0.871  1.0
  O  O19  1  0.129  0.832  0.297  1.0
[/CIF]
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The structure described by YCu3(SnO3)4 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 Sn(1)O6 octahedra. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. O(1) is bonded to one Y(1), one Cu(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OYCuSn2 tetrahedra. is represented by the CIF card [CIF]
data_YCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   6.746
_cell_length_c   6.746
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   236.365
_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  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.297  0.129  0.832  1.0
  O  O9  1  0.703  0.871  0.168  1.0
  O  O10  1  0.703  0.535  0.832  1.0
  O  O11  1  0.465  0.168  0.297  1.0
  O  O12  1  0.168  0.297  0.465  1.0
  O  O13  1  0.832  0.297  0.129  1.0
  O  O14  1  0.871  0.168  0.703  1.0
  O  O15  1  0.832  0.703  0.535  1.0
  O  O16  1  0.297  0.465  0.168  1.0
  O  O17  1  0.535  0.832  0.703  1.0
  O  O18  1  0.168  0.703  0.871  1.0
  O  O19  1  0.129  0.832  0.297  1.0
[/CIF]
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