The material structure described by Sr2YMoCu2O7 crystallizes in the monoclinic Cm 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), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) 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 two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(7) atoms to form corner-sharing MoO4 trigonal pyramids. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), and two equivalent O(8) atoms to form distorted corner-sharing MoO4 trigonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom. In the second O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Cu(1) atom. In the third O site, O(1) is bonded to two equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr2Mo2 trigonal pyramids that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra, and corners with two equivalent O(2)Sr2Mo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 38-49°. In the fourth O site, O(2) is bonded to two equivalent Sr(2), one Mo(1), and one Mo(2) atom to form distorted OSr2Mo2 trigonal pyramids that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra, and corners with two equivalent O(1)Sr2Mo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-73°. In the fifth O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, edges with three equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the sixth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, faces with two equivalent O(3)Sr2Y2Cu2 octahedra, and faces with two equivalent O(5)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the seventh O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, edges with three equivalent O(3)Sr2Y2Cu2 octahedra, and faces with two equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the eighth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Sr2YCu2MoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.472
_cell_length_b   12.472
_cell_length_c   5.543
_cell_angle_alpha   77.425
_cell_angle_beta   77.425
_cell_angle_gamma   143.747
_symmetry_Int_Tables_number   1
_cell_volume   364.241
_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  0.386  0.168  0.984  1.0
  Sr  Sr1  1  0.630  0.841  0.027  1.0
  Sr  Sr2  1  0.841  0.630  0.027  1.0
  Sr  Sr3  1  0.168  0.386  0.984  1.0
  Y  Y4  1  0.995  0.498  0.020  1.0
  Y  Y5  1  0.498  0.995  0.020  1.0
  Cu  Cu6  1  0.436  0.060  0.518  1.0
  Cu  Cu7  1  0.567  0.940  0.512  1.0
  Cu  Cu8  1  0.940  0.567  0.512  1.0
  Cu  Cu9  1  0.060  0.436  0.518  1.0
  Mo  Mo10  1  0.854  0.854  0.434  1.0
  Mo  Mo11  1  0.160  0.160  0.535  1.0
  O  O12  1  0.211  0.211  0.104  1.0
  O  O13  1  0.874  0.874  0.037  1.0
  O  O14  1  0.673  0.294  0.016  1.0
  O  O15  1  0.335  0.706  0.475  1.0
  O  O16  1  0.706  0.335  0.475  1.0
  O  O17  1  0.294  0.673  0.016  1.0
  O  O18  1  0.205  0.834  0.015  1.0
  O  O19  1  0.792  0.169  0.555  1.0
  O  O20  1  0.169  0.792  0.555  1.0
  O  O21  1  0.834  0.205  0.015  1.0
  O  O22  1  0.785  0.637  0.592  1.0
  O  O23  1  0.187  0.337  0.478  1.0
  O  O24  1  0.337  0.187  0.478  1.0
  O  O25  1  0.637  0.785  0.592  1.0
[/CIF]
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The material structure described by Sr2YMoCu2O7 crystallizes in the monoclinic Cm 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), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), two equivalent O(7), and two equivalent O(8) 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 two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(7) atoms to form corner-sharing MoO4 trigonal pyramids. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), and two equivalent O(8) atoms to form distorted corner-sharing MoO4 trigonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom. In the second O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Mo(2), and one Cu(1) atom. In the third O site, O(1) is bonded to two equivalent Sr(1), one Mo(1), and one Mo(2) atom to form distorted OSr2Mo2 trigonal pyramids that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra, and corners with two equivalent O(2)Sr2Mo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 38-49°. In the fourth O site, O(2) is bonded to two equivalent Sr(2), one Mo(1), and one Mo(2) atom to form distorted OSr2Mo2 trigonal pyramids that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra, and corners with two equivalent O(1)Sr2Mo2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 21-73°. In the fifth O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, edges with three equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the sixth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, faces with two equivalent O(3)Sr2Y2Cu2 octahedra, and faces with two equivalent O(5)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the seventh O site, O(5) is bonded to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(3)Sr2Y2Cu2 octahedra, corners with two equivalent O(4)Sr2Y2Cu2 octahedra, corners with two equivalent O(5)Sr2Y2Cu2 octahedra,  a cornercorner with one O(1)Sr2Mo2 trigonal pyramid,  a cornercorner with one O(2)Sr2Mo2 trigonal pyramid, edges with three equivalent O(3)Sr2Y2Cu2 octahedra, and faces with two equivalent O(4)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-71°. In the eighth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Y(1), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Sr2YCu2MoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.472
_cell_length_b   12.472
_cell_length_c   5.543
_cell_angle_alpha   77.425
_cell_angle_beta   77.425
_cell_angle_gamma   143.747
_symmetry_Int_Tables_number   1
_cell_volume   364.241
_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  0.386  0.168  0.984  1.0
  Sr  Sr1  1  0.630  0.841  0.027  1.0
  Sr  Sr2  1  0.841  0.630  0.027  1.0
  Sr  Sr3  1  0.168  0.386  0.984  1.0
  Y  Y4  1  0.995  0.498  0.020  1.0
  Y  Y5  1  0.498  0.995  0.020  1.0
  Cu  Cu6  1  0.436  0.060  0.518  1.0
  Cu  Cu7  1  0.567  0.940  0.512  1.0
  Cu  Cu8  1  0.940  0.567  0.512  1.0
  Cu  Cu9  1  0.060  0.436  0.518  1.0
  Mo  Mo10  1  0.854  0.854  0.434  1.0
  Mo  Mo11  1  0.160  0.160  0.535  1.0
  O  O12  1  0.211  0.211  0.104  1.0
  O  O13  1  0.874  0.874  0.037  1.0
  O  O14  1  0.673  0.294  0.016  1.0
  O  O15  1  0.335  0.706  0.475  1.0
  O  O16  1  0.706  0.335  0.475  1.0
  O  O17  1  0.294  0.673  0.016  1.0
  O  O18  1  0.205  0.834  0.015  1.0
  O  O19  1  0.792  0.169  0.555  1.0
  O  O20  1  0.169  0.792  0.555  1.0
  O  O21  1  0.834  0.205  0.015  1.0
  O  O22  1  0.785  0.637  0.592  1.0
  O  O23  1  0.187  0.337  0.478  1.0
  O  O24  1  0.337  0.187  0.478  1.0
  O  O25  1  0.637  0.785  0.592  1.0
[/CIF]
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