The compound described by Sc(CuO2)2 crystallizes in the monoclinic C2/c space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) 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. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OSc2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing OSc2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Sc(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.016
_cell_length_c   6.107
_cell_angle_alpha   126.208
_cell_angle_beta   79.874
_cell_angle_gamma   127.080
_symmetry_Int_Tables_number   1
_cell_volume   138.641
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.876  0.750  0.626  1.0
  Sc  Sc1  1  0.124  0.250  0.374  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.824  0.701  0.230  1.0
  O  O7  1  0.471  0.201  0.377  1.0
  O  O8  1  0.736  0.896  0.020  1.0
  O  O9  1  0.876  0.395  0.660  1.0
  O  O10  1  0.124  0.605  0.340  1.0
  O  O11  1  0.264  0.104  0.980  1.0
  O  O12  1  0.529  0.799  0.623  1.0
  O  O13  1  0.176  0.299  0.770  1.0
[/CIF]
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The compound described by Sc(CuO2)2 crystallizes in the monoclinic C2/c space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) 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. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OSc2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing OSc2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Sc(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.016
_cell_length_c   6.107
_cell_angle_alpha   126.208
_cell_angle_beta   79.874
_cell_angle_gamma   127.080
_symmetry_Int_Tables_number   1
_cell_volume   138.641
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.876  0.750  0.626  1.0
  Sc  Sc1  1  0.124  0.250  0.374  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.824  0.701  0.230  1.0
  O  O7  1  0.471  0.201  0.377  1.0
  O  O8  1  0.736  0.896  0.020  1.0
  O  O9  1  0.876  0.395  0.660  1.0
  O  O10  1  0.124  0.605  0.340  1.0
  O  O11  1  0.264  0.104  0.980  1.0
  O  O12  1  0.529  0.799  0.623  1.0
  O  O13  1  0.176  0.299  0.770  1.0
[/CIF]
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