The structure described by Cu6SnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. In the second O site, O(2) is bonded to three equivalent Cu(2) and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. is represented by the CIF card [CIF]
data_Cu6SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   60.008
_cell_angle_beta   60.367
_cell_angle_gamma   60.367
_symmetry_Int_Tables_number   1
_cell_volume   191.684
_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
  Cu  Cu0  1  0.500  1.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  1.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  1.000  1.0
  Cu  Cu4  1  1.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.357  0.362  0.362  1.0
  O  O8  1  0.918  0.361  0.361  1.0
  O  O9  1  0.357  0.362  0.918  1.0
  O  O10  1  0.082  0.639  0.639  1.0
  O  O11  1  0.357  0.918  0.362  1.0
  O  O12  1  0.643  0.082  0.638  1.0
  O  O13  1  0.643  0.638  0.638  1.0
  O  O14  1  0.643  0.638  0.082  1.0
[/CIF]
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The structure described by Cu6SnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. In the second O site, O(2) is bonded to three equivalent Cu(2) and one Sn(1) atom to form a mixture of edge and corner-sharing OCu3Sn tetrahedra. is represented by the CIF card [CIF]
data_Cu6SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.436
_cell_length_c   6.436
_cell_angle_alpha   60.008
_cell_angle_beta   60.367
_cell_angle_gamma   60.367
_symmetry_Int_Tables_number   1
_cell_volume   191.684
_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
  Cu  Cu0  1  0.500  1.000  0.500  1.0
  Cu  Cu1  1  0.500  0.000  0.000  1.0
  Cu  Cu2  1  1.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  1.000  1.0
  Cu  Cu4  1  1.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.357  0.362  0.362  1.0
  O  O8  1  0.918  0.361  0.361  1.0
  O  O9  1  0.357  0.362  0.918  1.0
  O  O10  1  0.082  0.639  0.639  1.0
  O  O11  1  0.357  0.918  0.362  1.0
  O  O12  1  0.643  0.082  0.638  1.0
  O  O13  1  0.643  0.638  0.638  1.0
  O  O14  1  0.643  0.638  0.082  1.0
[/CIF]
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