The compound described by Sc2Cu2O5 crystallizes in the monoclinic Pm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a see-saw-like geometry to one O(1), one O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra,  an edgeedge with one O(3)Sc3Cu tetrahedra, edges with two equivalent O(4)Sc3Cu tetrahedra, and edges with two equivalent O(5)ScCu3 trigonal pyramids. In the second O site, O(2) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(1) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(4)Sc3Cu tetrahedra,  an edgeedge with one O(4)Sc3Cu tetrahedra, edges with two equivalent O(3)Sc3Cu tetrahedra, and  an edgeedge with one O(5)ScCu3 trigonal pyramid. In the third O site, O(3) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(3)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(1)Sc3Cu tetrahedra, and edges with two equivalent O(2)Sc3Cu tetrahedra. In the fourth O site, O(4) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(1) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra, corners with two equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(2)Sc3Cu tetrahedra, and edges with two equivalent O(1)Sc3Cu tetrahedra. In the fifth O site, O(5) is bonded to one Sc(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OScCu3 trigonal pyramids that share corners with two equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra, corners with two equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(2)Sc3Cu tetrahedra, and edges with two equivalent O(1)Sc3Cu tetrahedra. is represented by the CIF card [CIF]
data_Sc2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   5.679
_cell_length_c   5.909
_cell_angle_alpha   73.060
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.789
_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
  Sc  Sc0  1  0.500  0.510  0.468  1.0
  Sc  Sc1  1  0.000  0.995  0.520  1.0
  Cu  Cu2  1  0.500  0.994  0.007  1.0
  Cu  Cu3  1  0.000  0.516  0.003  1.0
  O  O4  1  0.000  0.371  0.331  1.0
  O  O5  1  0.500  0.906  0.335  1.0
  O  O6  1  0.000  0.608  0.667  1.0
  O  O7  1  0.500  0.124  0.681  1.0
  O  O8  1  0.500  0.625  0.040  1.0
[/CIF]
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The compound described by Sc2Cu2O5 crystallizes in the monoclinic Pm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a T-shaped geometry to one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a see-saw-like geometry to one O(1), one O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra,  an edgeedge with one O(3)Sc3Cu tetrahedra, edges with two equivalent O(4)Sc3Cu tetrahedra, and edges with two equivalent O(5)ScCu3 trigonal pyramids. In the second O site, O(2) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(1) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(4)Sc3Cu tetrahedra,  an edgeedge with one O(4)Sc3Cu tetrahedra, edges with two equivalent O(3)Sc3Cu tetrahedra, and  an edgeedge with one O(5)ScCu3 trigonal pyramid. In the third O site, O(3) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(3)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(1)Sc3Cu tetrahedra, and edges with two equivalent O(2)Sc3Cu tetrahedra. In the fourth O site, O(4) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(1) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(2)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra, corners with two equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(2)Sc3Cu tetrahedra, and edges with two equivalent O(1)Sc3Cu tetrahedra. In the fifth O site, O(5) is bonded to one Sc(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OScCu3 trigonal pyramids that share corners with two equivalent O(4)Sc3Cu tetrahedra, corners with four equivalent O(3)Sc3Cu tetrahedra, corners with two equivalent O(5)ScCu3 trigonal pyramids,  an edgeedge with one O(2)Sc3Cu tetrahedra, and edges with two equivalent O(1)Sc3Cu tetrahedra. is represented by the CIF card [CIF]
data_Sc2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.420
_cell_length_b   5.679
_cell_length_c   5.909
_cell_angle_alpha   73.060
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.789
_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
  Sc  Sc0  1  0.500  0.510  0.468  1.0
  Sc  Sc1  1  0.000  0.995  0.520  1.0
  Cu  Cu2  1  0.500  0.994  0.007  1.0
  Cu  Cu3  1  0.000  0.516  0.003  1.0
  O  O4  1  0.000  0.371  0.331  1.0
  O  O5  1  0.500  0.906  0.335  1.0
  O  O6  1  0.000  0.608  0.667  1.0
  O  O7  1  0.500  0.124  0.681  1.0
  O  O8  1  0.500  0.625  0.040  1.0
[/CIF]
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