The material structure described by Sr2MgYCu3O7 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(7) atoms to form MgO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Y(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Y(1)O6 octahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and edges with four equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(6) atoms to form CuO5 trigonal bipyramids that share corners with four equivalent Cu(2)O5 trigonal bipyramids and edges with four equivalent Y(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Cu(2) atoms to form OY2Cu2 tetrahedra that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(1)Y2Cu2 tetrahedra, and edges with four equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Cu(3) atoms to form distorted OMg2Cu2 trigonal pyramids that share corners with two equivalent O(4)Sr4Cu2 octahedra and corners with four equivalent O(2)Mg2Cu2 trigonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(5)Sr4Cu2 octahedra, corners with two equivalent O(1)Y2Cu2 tetrahedra, edges with four equivalent O(3)Sr4Cu2 octahedra, faces with two equivalent O(6)Sr2Y2Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one Cu(1), and one Cu(3) atom to form OSr4Cu2 octahedra that share  a cornercorner with one O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(5)Sr4Cu2 octahedra, corners with two equivalent O(2)Mg2Cu2 trigonal pyramids, edges with four equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  an edgeedge with one O(6)Sr2Y2Cu2 octahedra, edges with two equivalent O(5)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, and faces with two equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr4Cu2 octahedra, edges with two equivalent O(6)Sr2Y2Cu2 octahedra, edges with four equivalent O(1)Y2Cu2 tetrahedra, and faces with two equivalent O(3)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Sr2YMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.436
_cell_length_b   3.975
_cell_length_c   14.429
_cell_angle_alpha   89.999
_cell_angle_beta   89.991
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   197.075
_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  0.500  0.500  0.836  1.0
  Sr  Sr1  1  0.500  0.500  0.104  1.0
  Y  Y2  1  0.500  0.500  0.572  1.0
  Mg  Mg3  1  0.500  0.500  0.370  1.0
  Cu  Cu4  1  1.000  1.000  0.976  1.0
  Cu  Cu5  1  1.000  1.000  0.699  1.0
  Cu  Cu6  1  0.001  0.000  0.258  1.0
  O  O7  1  0.500  0.000  0.627  1.0
  O  O8  1  0.500  0.000  0.313  1.0
  O  O9  1  1.000  1.000  0.842  1.0
  O  O10  1  1.000  1.000  0.115  1.0
  O  O11  1  1.000  0.500  0.977  1.0
  O  O12  1  1.000  0.500  0.685  1.0
  O  O13  1  0.000  0.500  0.457  1.0
[/CIF]
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The material structure described by Sr2MgYCu3O7 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(7) atoms to form MgO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Mg(1)O4 tetrahedra, and  an edgeedge with one Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Y(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Y(1)O6 octahedra,  an edgeedge with one Mg(1)O4 tetrahedra, and edges with four equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(6) atoms to form CuO5 trigonal bipyramids that share corners with four equivalent Cu(2)O5 trigonal bipyramids and edges with four equivalent Y(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Cu(2) atoms to form OY2Cu2 tetrahedra that share corners with two equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(1)Y2Cu2 tetrahedra, and edges with four equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Cu(3) atoms to form distorted OMg2Cu2 trigonal pyramids that share corners with two equivalent O(4)Sr4Cu2 octahedra and corners with four equivalent O(2)Mg2Cu2 trigonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(1), and one Cu(2) atom to form OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(5)Sr4Cu2 octahedra, corners with two equivalent O(1)Y2Cu2 tetrahedra, edges with four equivalent O(3)Sr4Cu2 octahedra, faces with two equivalent O(6)Sr2Y2Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one Cu(1), and one Cu(3) atom to form OSr4Cu2 octahedra that share  a cornercorner with one O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(5)Sr4Cu2 octahedra, corners with two equivalent O(2)Mg2Cu2 trigonal pyramids, edges with four equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(5)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  an edgeedge with one O(6)Sr2Y2Cu2 octahedra, edges with two equivalent O(5)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, and faces with two equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(2) atoms to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr4Cu2 octahedra, edges with two equivalent O(6)Sr2Y2Cu2 octahedra, edges with four equivalent O(1)Y2Cu2 tetrahedra, and faces with two equivalent O(3)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-65°. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_Sr2YMgCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.436
_cell_length_b   3.975
_cell_length_c   14.429
_cell_angle_alpha   89.999
_cell_angle_beta   89.991
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   197.075
_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  0.500  0.500  0.836  1.0
  Sr  Sr1  1  0.500  0.500  0.104  1.0
  Y  Y2  1  0.500  0.500  0.572  1.0
  Mg  Mg3  1  0.500  0.500  0.370  1.0
  Cu  Cu4  1  1.000  1.000  0.976  1.0
  Cu  Cu5  1  1.000  1.000  0.699  1.0
  Cu  Cu6  1  0.001  0.000  0.258  1.0
  O  O7  1  0.500  0.000  0.627  1.0
  O  O8  1  0.500  0.000  0.313  1.0
  O  O9  1  1.000  1.000  0.842  1.0
  O  O10  1  1.000  1.000  0.115  1.0
  O  O11  1  1.000  0.500  0.977  1.0
  O  O12  1  1.000  0.500  0.685  1.0
  O  O13  1  0.000  0.500  0.457  1.0
[/CIF]
.