The material structure described by Sr2YMnCu2O7 crystallizes in the monoclinic Cc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four O(2,2) and four O(3,3) atoms. Mn(1) is bonded to two equivalent O(1) and two O(4,4) atoms to form MnO4 tetrahedra that share corners with two Cu(1,1)O5 square pyramids and corners with two equivalent Mn(1)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Mn(1)O4 tetrahedra. In the second Cu site, Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Mn(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Cu(1) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Cu(1) atom. In the third O site, O(1) is bonded to two Sr(1,1) and two equivalent Mn(1) atoms to form distorted OSr2Mn2 tetrahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; and corners with two equivalent O(1)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 26-62°. In the fourth O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(3,3)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the fifth O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(3,3)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the sixth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four equivalent O(3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(2,2)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the seventh O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four equivalent O(3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(2,2)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. is represented by the CIF card [CIF]
data_Sr2YMnCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.440
_cell_length_c   12.385
_cell_angle_alpha   102.724
_cell_angle_beta   102.683
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   348.206
_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
  Sr  Sr0  1  0.331  0.344  0.701  1.0
  Sr  Sr1  1  0.630  0.657  0.299  1.0
  Sr  Sr2  1  0.831  0.858  0.701  1.0
  Sr  Sr3  1  0.130  0.142  0.299  1.0
  Y  Y4  1  0.983  0.000  1.000  1.0
  Y  Y5  1  0.483  0.501  1.000  1.0
  Mn  Mn6  1  0.274  0.685  0.500  1.0
  Mn  Mn7  1  0.774  0.316  0.500  1.0
  Cu  Cu8  1  0.912  0.431  0.859  1.0
  Cu  Cu9  1  0.053  0.570  0.140  1.0
  Cu  Cu10  1  0.412  0.929  0.859  1.0
  Cu  Cu11  1  0.553  0.072  0.141  1.0
  O  O12  1  0.132  0.340  0.500  1.0
  O  O13  1  0.632  0.661  0.500  1.0
  O  O14  1  0.178  0.196  0.875  1.0
  O  O15  1  0.303  0.806  0.125  1.0
  O  O16  1  0.678  0.181  0.875  1.0
  O  O17  1  0.803  0.820  0.124  1.0
  O  O18  1  0.663  0.680  0.875  1.0
  O  O19  1  0.788  0.321  0.125  1.0
  O  O20  1  0.163  0.695  0.875  1.0
  O  O21  1  0.288  0.307  0.124  1.0
  O  O22  1  0.303  0.838  0.655  1.0
  O  O23  1  0.648  0.163  0.345  1.0
  O  O24  1  0.804  0.320  0.655  1.0
  O  O25  1  0.148  0.683  0.345  1.0
[/CIF]
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The material structure described by Sr2YMnCu2O7 crystallizes in the monoclinic Cc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four O(2,2) and four O(3,3) atoms. Mn(1) is bonded to two equivalent O(1) and two O(4,4) atoms to form MnO4 tetrahedra that share corners with two Cu(1,1)O5 square pyramids and corners with two equivalent Mn(1)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Mn(1)O4 tetrahedra. In the second Cu site, Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Mn(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Cu(1) atom. In the second O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Mn(1), and one Cu(1) atom. In the third O site, O(1) is bonded to two Sr(1,1) and two equivalent Mn(1) atoms to form distorted OSr2Mn2 tetrahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; and corners with two equivalent O(1)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 26-62°. In the fourth O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(3,3)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the fifth O site, O(2) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four equivalent O(2)Sr2Y2Cu2 octahedra; corners with four O(3,3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(3,3)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the sixth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four equivalent O(3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(2,2)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the seventh O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with four O(2,2)Sr2Y2Cu2 octahedra; corners with four equivalent O(3)Sr2Y2Cu2 octahedra; corners with two equivalent O(1)Sr2Mn2 tetrahedra; edges with three O(2,2)Sr2Y2Cu2 octahedra; faces with two equivalent O(2)Sr2Y2Cu2 octahedra; and faces with two equivalent O(3)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. is represented by the CIF card [CIF]
data_Sr2YMnCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.438
_cell_length_b   5.440
_cell_length_c   12.385
_cell_angle_alpha   102.724
_cell_angle_beta   102.683
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   348.206
_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
  Sr  Sr0  1  0.331  0.344  0.701  1.0
  Sr  Sr1  1  0.630  0.657  0.299  1.0
  Sr  Sr2  1  0.831  0.858  0.701  1.0
  Sr  Sr3  1  0.130  0.142  0.299  1.0
  Y  Y4  1  0.983  0.000  1.000  1.0
  Y  Y5  1  0.483  0.501  1.000  1.0
  Mn  Mn6  1  0.274  0.685  0.500  1.0
  Mn  Mn7  1  0.774  0.316  0.500  1.0
  Cu  Cu8  1  0.912  0.431  0.859  1.0
  Cu  Cu9  1  0.053  0.570  0.140  1.0
  Cu  Cu10  1  0.412  0.929  0.859  1.0
  Cu  Cu11  1  0.553  0.072  0.141  1.0
  O  O12  1  0.132  0.340  0.500  1.0
  O  O13  1  0.632  0.661  0.500  1.0
  O  O14  1  0.178  0.196  0.875  1.0
  O  O15  1  0.303  0.806  0.125  1.0
  O  O16  1  0.678  0.181  0.875  1.0
  O  O17  1  0.803  0.820  0.124  1.0
  O  O18  1  0.663  0.680  0.875  1.0
  O  O19  1  0.788  0.321  0.125  1.0
  O  O20  1  0.163  0.695  0.875  1.0
  O  O21  1  0.288  0.307  0.124  1.0
  O  O22  1  0.303  0.838  0.655  1.0
  O  O23  1  0.648  0.163  0.345  1.0
  O  O24  1  0.804  0.320  0.655  1.0
  O  O25  1  0.148  0.683  0.345  1.0
[/CIF]
.