The crystal structure described by Ca2Cu2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form edge-sharing OCa4Cu2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ca2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.792
_cell_length_b   5.391
_cell_length_c   10.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.899
_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
  Ca  Ca0  1  0.500  0.692  0.870  1.0
  Ca  Ca1  1  0.500  0.308  0.130  1.0
  Ca  Ca2  1  0.500  0.192  0.630  1.0
  Ca  Ca3  1  0.500  0.808  0.370  1.0
  Cu  Cu4  1  0.000  0.721  0.620  1.0
  Cu  Cu5  1  0.000  0.279  0.380  1.0
  Cu  Cu6  1  0.000  0.779  0.120  1.0
  Cu  Cu7  1  0.000  0.221  0.880  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.578  0.289  1.0
  O  O10  1  0.000  0.078  0.211  1.0
  O  O11  1  0.000  0.922  0.789  1.0
  O  O12  1  0.500  0.787  0.100  1.0
  O  O13  1  0.500  0.213  0.900  1.0
  O  O14  1  0.000  0.422  0.711  1.0
  O  O15  1  0.500  0.713  0.600  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.287  0.400  1.0
[/CIF]
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The crystal structure described by Ca2Cu2O5 crystallizes in the orthorhombic Pbam space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Cu(1) atoms to form edge-sharing OCa4Cu2 octahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ca2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.792
_cell_length_b   5.391
_cell_length_c   10.365
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.899
_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
  Ca  Ca0  1  0.500  0.692  0.870  1.0
  Ca  Ca1  1  0.500  0.308  0.130  1.0
  Ca  Ca2  1  0.500  0.192  0.630  1.0
  Ca  Ca3  1  0.500  0.808  0.370  1.0
  Cu  Cu4  1  0.000  0.721  0.620  1.0
  Cu  Cu5  1  0.000  0.279  0.380  1.0
  Cu  Cu6  1  0.000  0.779  0.120  1.0
  Cu  Cu7  1  0.000  0.221  0.880  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.578  0.289  1.0
  O  O10  1  0.000  0.078  0.211  1.0
  O  O11  1  0.000  0.922  0.789  1.0
  O  O12  1  0.500  0.787  0.100  1.0
  O  O13  1  0.500  0.213  0.900  1.0
  O  O14  1  0.000  0.422  0.711  1.0
  O  O15  1  0.500  0.713  0.600  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.287  0.400  1.0
[/CIF]
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