The compound described by ZnCu3(SnO3)4 crystallizes in the cubic Im-3 space group. The structure consists of two 7440-66-6 atoms inside a Cu3(SnO3)4 framework. In the Cu3(SnO3)4 framework, 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 corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ZnCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.698
_cell_length_b   6.698
_cell_length_c   6.698
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   231.303
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.308  0.831  0.138  1.0
  O  O9  1  0.692  0.169  0.862  1.0
  O  O10  1  0.692  0.831  0.523  1.0
  O  O11  1  0.862  0.692  0.169  1.0
  O  O12  1  0.831  0.138  0.308  1.0
  O  O13  1  0.169  0.477  0.308  1.0
  O  O14  1  0.477  0.308  0.169  1.0
  O  O15  1  0.169  0.862  0.692  1.0
  O  O16  1  0.308  0.169  0.477  1.0
  O  O17  1  0.138  0.308  0.831  1.0
  O  O18  1  0.831  0.523  0.692  1.0
  O  O19  1  0.523  0.692  0.831  1.0
[/CIF]
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The compound described by ZnCu3(SnO3)4 crystallizes in the cubic Im-3 space group. The structure consists of two 7440-66-6 atoms inside a Cu3(SnO3)4 framework. In the Cu3(SnO3)4 framework, 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 corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 43°. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ZnCu3(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.698
_cell_length_b   6.698
_cell_length_c   6.698
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   231.303
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.500  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.308  0.831  0.138  1.0
  O  O9  1  0.692  0.169  0.862  1.0
  O  O10  1  0.692  0.831  0.523  1.0
  O  O11  1  0.862  0.692  0.169  1.0
  O  O12  1  0.831  0.138  0.308  1.0
  O  O13  1  0.169  0.477  0.308  1.0
  O  O14  1  0.477  0.308  0.169  1.0
  O  O15  1  0.169  0.862  0.692  1.0
  O  O16  1  0.308  0.169  0.477  1.0
  O  O17  1  0.138  0.308  0.831  1.0
  O  O18  1  0.831  0.523  0.692  1.0
  O  O19  1  0.523  0.692  0.831  1.0
[/CIF]
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