The material described by BaSrY(CuO2)4 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(1) atoms. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(4), two equivalent O(6), two equivalent O(8), and four equivalent O(2) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(8), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(7), and two equivalent O(8) atoms. In the third Cu site, Cu(3) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Sr(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrY(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.763
_cell_length_b   13.763
_cell_length_c   3.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   163.734
_symmetry_Int_Tables_number   1
_cell_volume   203.752
_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
  Ba  Ba0  1  0.636  0.364  0.500  1.0
  Sr  Sr1  1  0.365  0.635  0.500  1.0
  Y  Y2  1  0.499  0.501  0.500  1.0
  Cu  Cu3  1  0.213  0.787  0.000  1.0
  Cu  Cu4  1  0.789  0.211  0.000  1.0
  Cu  Cu5  1  0.062  0.938  0.000  1.0
  Cu  Cu6  1  0.937  0.063  0.000  1.0
  O  O7  1  0.145  0.855  0.000  1.0
  O  O8  1  0.857  0.143  0.000  1.0
  O  O9  1  0.552  0.448  0.000  1.0
  O  O10  1  0.445  0.555  0.000  1.0
  O  O11  1  0.051  0.949  0.500  1.0
  O  O12  1  0.946  0.054  0.500  1.0
  O  O13  1  0.719  0.281  0.000  1.0
  O  O14  1  0.283  0.717  0.000  1.0
[/CIF]
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The material described by BaSrY(CuO2)4 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(1) atoms. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(4), two equivalent O(6), two equivalent O(8), and four equivalent O(2) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(8), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2), one O(7), and two equivalent O(8) atoms. In the third Cu site, Cu(3) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Sr(1), one Cu(1), and two equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrY(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.763
_cell_length_b   13.763
_cell_length_c   3.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   163.734
_symmetry_Int_Tables_number   1
_cell_volume   203.752
_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
  Ba  Ba0  1  0.636  0.364  0.500  1.0
  Sr  Sr1  1  0.365  0.635  0.500  1.0
  Y  Y2  1  0.499  0.501  0.500  1.0
  Cu  Cu3  1  0.213  0.787  0.000  1.0
  Cu  Cu4  1  0.789  0.211  0.000  1.0
  Cu  Cu5  1  0.062  0.938  0.000  1.0
  Cu  Cu6  1  0.937  0.063  0.000  1.0
  O  O7  1  0.145  0.855  0.000  1.0
  O  O8  1  0.857  0.143  0.000  1.0
  O  O9  1  0.552  0.448  0.000  1.0
  O  O10  1  0.445  0.555  0.000  1.0
  O  O11  1  0.051  0.949  0.500  1.0
  O  O12  1  0.946  0.054  0.500  1.0
  O  O13  1  0.719  0.281  0.000  1.0
  O  O14  1  0.283  0.717  0.000  1.0
[/CIF]
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