The compound described by CrSr2YCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Sr2YCr(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   3.867
_cell_length_c   10.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.480
_symmetry_Int_Tables_number   1
_cell_volume   164.032
_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  0.517  0.483  0.678  1.0
  Sr  Sr1  1  0.517  0.483  0.322  1.0
  Y  Y2  1  0.502  0.498  0.000  1.0
  Cr  Cr3  1  0.045  0.955  0.500  1.0
  Cu  Cu4  1  0.003  0.997  0.855  1.0
  Cu  Cu5  1  0.003  0.997  0.145  1.0
  O  O6  1  0.002  0.498  0.870  1.0
  O  O7  1  0.502  0.998  0.870  1.0
  O  O8  1  0.002  0.498  0.130  1.0
  O  O9  1  0.502  0.998  0.130  1.0
  O  O10  1  0.983  0.017  0.658  1.0
  O  O11  1  0.983  0.017  0.342  1.0
  O  O12  1  0.016  0.502  0.500  1.0
  O  O13  1  0.498  0.984  0.500  1.0
[/CIF]
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The compound described by CrSr2YCu2O8 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Cu(1)O5 square pyramids. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Cu(1)O5 square pyramids, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cr(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Sr2YCr(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   3.867
_cell_length_c   10.972
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.480
_symmetry_Int_Tables_number   1
_cell_volume   164.032
_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  0.517  0.483  0.678  1.0
  Sr  Sr1  1  0.517  0.483  0.322  1.0
  Y  Y2  1  0.502  0.498  0.000  1.0
  Cr  Cr3  1  0.045  0.955  0.500  1.0
  Cu  Cu4  1  0.003  0.997  0.855  1.0
  Cu  Cu5  1  0.003  0.997  0.145  1.0
  O  O6  1  0.002  0.498  0.870  1.0
  O  O7  1  0.502  0.998  0.870  1.0
  O  O8  1  0.002  0.498  0.130  1.0
  O  O9  1  0.502  0.998  0.130  1.0
  O  O10  1  0.983  0.017  0.658  1.0
  O  O11  1  0.983  0.017  0.342  1.0
  O  O12  1  0.016  0.502  0.500  1.0
  O  O13  1  0.498  0.984  0.500  1.0
[/CIF]
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