The material structure described by Sc2Cu2O5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(5)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(2)Sc2Cu2 trigonal pyramids, corners with three equivalent O(4)Sc2Cu2 trigonal pyramids, and  an edgeedge with one O(2)Sc2Cu2 trigonal pyramid. In the second O site, O(1) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(1) atom to form distorted OSc3Cu tetrahedra that share corners with two equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(5)Sc3Cu tetrahedra, corners with three equivalent O(2)Sc2Cu2 trigonal pyramids, corners with three equivalent O(4)Sc2Cu2 trigonal pyramids, and  an edgeedge with one O(4)Sc2Cu2 trigonal pyramid. In the third O site, O(2) is bonded to two equivalent Sc(2), one Cu(1), and one Cu(2) atom to form OSc2Cu2 trigonal pyramids that share corners with three equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(5)Sc3Cu tetrahedra, corners with two equivalent O(2)Sc2Cu2 trigonal pyramids,  an edgeedge with one O(5)Sc3Cu tetrahedra, and  an edgeedge with one O(4)Sc2Cu2 trigonal pyramid. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to one Sc(1), one Sc(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form OSc2Cu2 trigonal pyramids that share corners with three equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(5)Sc3Cu tetrahedra, corners with two equivalent O(4)Sc2Cu2 trigonal pyramids,  an edgeedge with one O(1)Sc3Cu tetrahedra, and  an edgeedge with one O(2)Sc2Cu2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.249
_cell_length_b   10.555
_cell_length_c   12.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.791
_cell_formula_units_Z   4
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  0.780  0.789  0.001  1.0
  Sc  Sc1  1  0.220  0.211  0.501  1.0
  Sc  Sc2  1  0.720  0.289  0.001  1.0
  Sc  Sc3  1  0.280  0.711  0.501  1.0
  Sc  Sc4  1  0.779  0.960  0.330  1.0
  Sc  Sc5  1  0.221  0.040  0.830  1.0
  Sc  Sc6  1  0.721  0.460  0.330  1.0
  Sc  Sc7  1  0.279  0.540  0.830  1.0
  Cu  Cu8  1  0.342  0.010  0.109  1.0
  Cu  Cu9  1  0.658  0.990  0.609  1.0
  Cu  Cu10  1  0.158  0.510  0.109  1.0
  Cu  Cu11  1  0.842  0.490  0.609  1.0
  Cu  Cu12  1  0.350  0.740  0.221  1.0
  Cu  Cu13  1  0.650  0.260  0.721  1.0
  Cu  Cu14  1  0.150  0.240  0.221  1.0
  Cu  Cu15  1  0.850  0.760  0.721  1.0
  O  O16  1  0.271  0.919  0.967  1.0
  O  O17  1  0.729  0.081  0.467  1.0
  O  O18  1  0.229  0.419  0.967  1.0
  O  O19  1  0.771  0.581  0.467  1.0
  O  O20  1  0.720  0.933  0.765  1.0
  O  O21  1  0.280  0.067  0.265  1.0
  O  O22  1  0.780  0.433  0.765  1.0
  O  O23  1  0.220  0.567  0.265  1.0
  O  O24  1  0.204  0.625  0.665  1.0
  O  O25  1  0.796  0.375  0.165  1.0
  O  O26  1  0.296  0.125  0.665  1.0
  O  O27  1  0.704  0.875  0.165  1.0
  O  O28  1  0.786  0.818  0.565  1.0
  O  O29  1  0.214  0.182  0.065  1.0
  O  O30  1  0.714  0.318  0.565  1.0
  O  O31  1  0.286  0.682  0.065  1.0
  O  O32  1  0.282  0.831  0.364  1.0
  O  O33  1  0.718  0.169  0.864  1.0
  O  O34  1  0.218  0.331  0.364  1.0
  O  O35  1  0.782  0.669  0.864  1.0
[/CIF]
.
The material structure described by Sc2Cu2O5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. In the second Sc site, Sc(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 13-61°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Sc(1), two equivalent Sc(2), and one Cu(2) atom to form OSc3Cu tetrahedra that share corners with two equivalent O(5)Sc3Cu tetrahedra, corners with four equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(2)Sc2Cu2 trigonal pyramids, corners with three equivalent O(4)Sc2Cu2 trigonal pyramids, and  an edgeedge with one O(2)Sc2Cu2 trigonal pyramid. In the second O site, O(1) is bonded to one Sc(2), two equivalent Sc(1), and one Cu(1) atom to form distorted OSc3Cu tetrahedra that share corners with two equivalent O(1)Sc3Cu tetrahedra, corners with four equivalent O(5)Sc3Cu tetrahedra, corners with three equivalent O(2)Sc2Cu2 trigonal pyramids, corners with three equivalent O(4)Sc2Cu2 trigonal pyramids, and  an edgeedge with one O(4)Sc2Cu2 trigonal pyramid. In the third O site, O(2) is bonded to two equivalent Sc(2), one Cu(1), and one Cu(2) atom to form OSc2Cu2 trigonal pyramids that share corners with three equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(5)Sc3Cu tetrahedra, corners with two equivalent O(2)Sc2Cu2 trigonal pyramids,  an edgeedge with one O(5)Sc3Cu tetrahedra, and  an edgeedge with one O(4)Sc2Cu2 trigonal pyramid. In the fourth O site, O(3) is bonded in a 6-coordinate geometry to one Sc(1), one Sc(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sc(1), one Cu(1), and one Cu(2) atom to form OSc2Cu2 trigonal pyramids that share corners with three equivalent O(1)Sc3Cu tetrahedra, corners with three equivalent O(5)Sc3Cu tetrahedra, corners with two equivalent O(4)Sc2Cu2 trigonal pyramids,  an edgeedge with one O(1)Sc3Cu tetrahedra, and  an edgeedge with one O(2)Sc2Cu2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.249
_cell_length_b   10.555
_cell_length_c   12.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.791
_cell_formula_units_Z   4
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  0.780  0.789  0.001  1.0
  Sc  Sc1  1  0.220  0.211  0.501  1.0
  Sc  Sc2  1  0.720  0.289  0.001  1.0
  Sc  Sc3  1  0.280  0.711  0.501  1.0
  Sc  Sc4  1  0.779  0.960  0.330  1.0
  Sc  Sc5  1  0.221  0.040  0.830  1.0
  Sc  Sc6  1  0.721  0.460  0.330  1.0
  Sc  Sc7  1  0.279  0.540  0.830  1.0
  Cu  Cu8  1  0.342  0.010  0.109  1.0
  Cu  Cu9  1  0.658  0.990  0.609  1.0
  Cu  Cu10  1  0.158  0.510  0.109  1.0
  Cu  Cu11  1  0.842  0.490  0.609  1.0
  Cu  Cu12  1  0.350  0.740  0.221  1.0
  Cu  Cu13  1  0.650  0.260  0.721  1.0
  Cu  Cu14  1  0.150  0.240  0.221  1.0
  Cu  Cu15  1  0.850  0.760  0.721  1.0
  O  O16  1  0.271  0.919  0.967  1.0
  O  O17  1  0.729  0.081  0.467  1.0
  O  O18  1  0.229  0.419  0.967  1.0
  O  O19  1  0.771  0.581  0.467  1.0
  O  O20  1  0.720  0.933  0.765  1.0
  O  O21  1  0.280  0.067  0.265  1.0
  O  O22  1  0.780  0.433  0.765  1.0
  O  O23  1  0.220  0.567  0.265  1.0
  O  O24  1  0.204  0.625  0.665  1.0
  O  O25  1  0.796  0.375  0.165  1.0
  O  O26  1  0.296  0.125  0.665  1.0
  O  O27  1  0.704  0.875  0.165  1.0
  O  O28  1  0.786  0.818  0.565  1.0
  O  O29  1  0.214  0.182  0.065  1.0
  O  O30  1  0.714  0.318  0.565  1.0
  O  O31  1  0.286  0.682  0.065  1.0
  O  O32  1  0.282  0.831  0.364  1.0
  O  O33  1  0.718  0.169  0.864  1.0
  O  O34  1  0.218  0.331  0.364  1.0
  O  O35  1  0.782  0.669  0.864  1.0
[/CIF]
.