The crystal structure described by SrCa(CuO2)2 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(4) atoms. Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Cu(1), and two equivalent Cu(2) atoms to form OSr2Cu3 trigonal bipyramids that share corners with three equivalent O(3)SrCa4Cu octahedra, corners with four equivalent O(4)Sr4CaCu octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(2)Ca2Cu3 trigonal bipyramids, and faces with two equivalent O(4)Sr4CaCu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second O site, O(2) is bonded to two equivalent Ca(1), one Cu(2), and two equivalent Cu(1) atoms to form OCa2Cu3 trigonal bipyramids that share corners with three equivalent O(4)Sr4CaCu octahedra, corners with four equivalent O(3)SrCa4Cu octahedra, corners with four equivalent O(2)Ca2Cu3 trigonal bipyramids, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(3)SrCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Ca(1), and one Cu(1) atom to form distorted OSrCa4Cu octahedra that share corners with four equivalent O(3)SrCa4Cu octahedra, corners with three equivalent O(1)Sr2Cu3 trigonal bipyramids, corners with four equivalent O(2)Ca2Cu3 trigonal bipyramids, edges with four equivalent O(4)Sr4CaCu octahedra, edges with four equivalent O(3)SrCa4Cu octahedra, and faces with two equivalent O(2)Ca2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Ca(1), and one Cu(2) atom to form OSr4CaCu octahedra that share corners with four equivalent O(4)Sr4CaCu octahedra, corners with three equivalent O(2)Ca2Cu3 trigonal bipyramids, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(4)Sr4CaCu octahedra, edges with four equivalent O(3)SrCa4Cu octahedra, and faces with two equivalent O(1)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF file [CIF]
data_SrCa(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   8.232
_cell_length_c   3.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.379
_symmetry_Int_Tables_number   1
_cell_volume   111.235
_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
  Sr  Sr0  1  0.670  0.330  0.500  1.0
  Ca  Ca1  1  0.331  0.669  0.000  1.0
  Cu  Cu2  1  0.937  0.063  0.500  1.0
  Cu  Cu3  1  0.062  0.938  0.000  1.0
  O  O4  1  0.055  0.945  0.500  1.0
  O  O5  1  0.941  0.059  0.000  1.0
  O  O6  1  0.820  0.180  0.500  1.0
  O  O7  1  0.184  0.816  0.000  1.0
[/CIF]
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The crystal structure described by SrCa(CuO2)2 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(4) atoms. Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Cu(1), and two equivalent Cu(2) atoms to form OSr2Cu3 trigonal bipyramids that share corners with three equivalent O(3)SrCa4Cu octahedra, corners with four equivalent O(4)Sr4CaCu octahedra, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(2)Ca2Cu3 trigonal bipyramids, and faces with two equivalent O(4)Sr4CaCu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second O site, O(2) is bonded to two equivalent Ca(1), one Cu(2), and two equivalent Cu(1) atoms to form OCa2Cu3 trigonal bipyramids that share corners with three equivalent O(4)Sr4CaCu octahedra, corners with four equivalent O(3)SrCa4Cu octahedra, corners with four equivalent O(2)Ca2Cu3 trigonal bipyramids, edges with two equivalent O(1)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(3)SrCa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Ca(1), and one Cu(1) atom to form distorted OSrCa4Cu octahedra that share corners with four equivalent O(3)SrCa4Cu octahedra, corners with three equivalent O(1)Sr2Cu3 trigonal bipyramids, corners with four equivalent O(2)Ca2Cu3 trigonal bipyramids, edges with four equivalent O(4)Sr4CaCu octahedra, edges with four equivalent O(3)SrCa4Cu octahedra, and faces with two equivalent O(2)Ca2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Ca(1), and one Cu(2) atom to form OSr4CaCu octahedra that share corners with four equivalent O(4)Sr4CaCu octahedra, corners with three equivalent O(2)Ca2Cu3 trigonal bipyramids, corners with four equivalent O(1)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(4)Sr4CaCu octahedra, edges with four equivalent O(3)SrCa4Cu octahedra, and faces with two equivalent O(1)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. is represented by the CIF file [CIF]
data_SrCa(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.232
_cell_length_b   8.232
_cell_length_c   3.940
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   155.379
_symmetry_Int_Tables_number   1
_cell_volume   111.235
_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
  Sr  Sr0  1  0.670  0.330  0.500  1.0
  Ca  Ca1  1  0.331  0.669  0.000  1.0
  Cu  Cu2  1  0.937  0.063  0.500  1.0
  Cu  Cu3  1  0.062  0.938  0.000  1.0
  O  O4  1  0.055  0.945  0.500  1.0
  O  O5  1  0.941  0.059  0.000  1.0
  O  O6  1  0.820  0.180  0.500  1.0
  O  O7  1  0.184  0.816  0.000  1.0
[/CIF]
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