The material described by Sr2YMo2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Mo(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OY2Mo2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OY2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2YMo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.103
_cell_length_b   14.103
_cell_length_c   14.103
_cell_angle_alpha   157.590
_cell_angle_beta   156.359
_cell_angle_gamma   32.801
_symmetry_Int_Tables_number   1
_cell_volume   428.496
_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  0.780  0.721  0.877  1.0
  Sr  Sr1  1  0.156  0.279  0.060  1.0
  Sr  Sr2  1  0.656  0.596  0.877  1.0
  Sr  Sr3  1  0.280  0.404  0.060  1.0
  Y  Y4  1  0.512  0.500  0.012  1.0
  Y  Y5  1  0.012  0.000  0.012  1.0
  Mo  Mo6  1  0.434  0.924  0.511  1.0
  Mo  Mo7  1  0.587  0.076  0.510  1.0
  Mo  Mo8  1  0.087  0.576  0.511  1.0
  Mo  Mo9  1  0.934  0.424  0.510  1.0
  O  O10  1  0.992  0.553  0.045  1.0
  O  O11  1  0.492  0.447  0.439  1.0
  O  O12  1  0.201  0.193  0.499  1.0
  O  O13  1  0.305  0.807  0.007  1.0
  O  O14  1  0.805  0.798  0.499  1.0
  O  O15  1  0.701  0.202  0.007  1.0
  O  O16  1  0.729  0.696  0.526  1.0
  O  O17  1  0.830  0.304  0.033  1.0
  O  O18  1  0.330  0.297  0.526  1.0
  O  O19  1  0.229  0.703  0.033  1.0
  O  O20  1  0.928  0.377  0.598  1.0
  O  O21  1  0.221  0.623  0.551  1.0
  O  O22  1  0.721  0.170  0.598  1.0
  O  O23  1  0.428  0.830  0.551  1.0
[/CIF]
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The material described by Sr2YMo2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Mo(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OY2Mo2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Mo(1) atoms to form a mixture of corner and edge-sharing OY2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2YMo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.103
_cell_length_b   14.103
_cell_length_c   14.103
_cell_angle_alpha   157.590
_cell_angle_beta   156.359
_cell_angle_gamma   32.801
_symmetry_Int_Tables_number   1
_cell_volume   428.496
_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  0.780  0.721  0.877  1.0
  Sr  Sr1  1  0.156  0.279  0.060  1.0
  Sr  Sr2  1  0.656  0.596  0.877  1.0
  Sr  Sr3  1  0.280  0.404  0.060  1.0
  Y  Y4  1  0.512  0.500  0.012  1.0
  Y  Y5  1  0.012  0.000  0.012  1.0
  Mo  Mo6  1  0.434  0.924  0.511  1.0
  Mo  Mo7  1  0.587  0.076  0.510  1.0
  Mo  Mo8  1  0.087  0.576  0.511  1.0
  Mo  Mo9  1  0.934  0.424  0.510  1.0
  O  O10  1  0.992  0.553  0.045  1.0
  O  O11  1  0.492  0.447  0.439  1.0
  O  O12  1  0.201  0.193  0.499  1.0
  O  O13  1  0.305  0.807  0.007  1.0
  O  O14  1  0.805  0.798  0.499  1.0
  O  O15  1  0.701  0.202  0.007  1.0
  O  O16  1  0.729  0.696  0.526  1.0
  O  O17  1  0.830  0.304  0.033  1.0
  O  O18  1  0.330  0.297  0.526  1.0
  O  O19  1  0.229  0.703  0.033  1.0
  O  O20  1  0.928  0.377  0.598  1.0
  O  O21  1  0.221  0.623  0.551  1.0
  O  O22  1  0.721  0.170  0.598  1.0
  O  O23  1  0.428  0.830  0.551  1.0
[/CIF]
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