The structure described by Y2Mo2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(1)Y4 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(2), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(2)Y2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Y(2) and two equivalent Mo(1) atoms to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Y(1) and two equivalent Mo(2) atoms to form OY2Mo2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.251
_cell_length_c   7.269
_cell_angle_alpha   59.955
_cell_angle_beta   59.891
_cell_angle_gamma   60.108
_symmetry_Int_Tables_number   1
_cell_volume   270.605
_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
  Y  Y0  1  0.125  0.125  0.125  1.0
  Y  Y1  1  0.625  0.125  0.125  1.0
  Y  Y2  1  0.125  0.625  0.125  1.0
  Y  Y3  1  0.125  0.125  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.625  1.0
  Mo  Mo5  1  0.125  0.625  0.625  1.0
  Mo  Mo6  1  0.625  0.125  0.625  1.0
  Mo  Mo7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.249  0.251  0.251  1.0
  O  O9  1  0.001  0.999  0.999  1.0
  O  O10  1  0.544  0.958  0.527  1.0
  O  O11  1  0.280  0.723  0.292  1.0
  O  O12  1  0.528  0.550  0.964  1.0
  O  O13  1  0.961  0.539  0.539  1.0
  O  O14  1  0.534  0.966  0.966  1.0
  O  O15  1  0.957  0.964  0.550  1.0
  O  O16  1  0.970  0.527  0.958  1.0
  O  O17  1  0.716  0.284  0.284  1.0
  O  O18  1  0.289  0.711  0.711  1.0
  O  O19  1  0.722  0.700  0.286  1.0
  O  O20  1  0.293  0.286  0.700  1.0
  O  O21  1  0.706  0.292  0.723  1.0
[/CIF]
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The structure described by Y2Mo2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Mo site, Mo(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Y(2) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(1)Y4 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(2), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(4)Y2Mo2 tetrahedra, corners with two equivalent O(5)Y2Mo2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra,  an edgeedge with one O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(2)Y2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Y(2) and two equivalent Mo(1) atoms to form distorted OY2Mo2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(4)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Y(1) and two equivalent Mo(2) atoms to form OY2Mo2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y2Mo2 tetrahedra, corners with four equivalent O(3)Y2Mo2 tetrahedra, corners with four equivalent O(5)Y2Mo2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(2)Y2Mo2 tetrahedra, and edges with two equivalent O(3)Y2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   7.251
_cell_length_c   7.269
_cell_angle_alpha   59.955
_cell_angle_beta   59.891
_cell_angle_gamma   60.108
_symmetry_Int_Tables_number   1
_cell_volume   270.605
_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
  Y  Y0  1  0.125  0.125  0.125  1.0
  Y  Y1  1  0.625  0.125  0.125  1.0
  Y  Y2  1  0.125  0.625  0.125  1.0
  Y  Y3  1  0.125  0.125  0.625  1.0
  Mo  Mo4  1  0.625  0.625  0.625  1.0
  Mo  Mo5  1  0.125  0.625  0.625  1.0
  Mo  Mo6  1  0.625  0.125  0.625  1.0
  Mo  Mo7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.249  0.251  0.251  1.0
  O  O9  1  0.001  0.999  0.999  1.0
  O  O10  1  0.544  0.958  0.527  1.0
  O  O11  1  0.280  0.723  0.292  1.0
  O  O12  1  0.528  0.550  0.964  1.0
  O  O13  1  0.961  0.539  0.539  1.0
  O  O14  1  0.534  0.966  0.966  1.0
  O  O15  1  0.957  0.964  0.550  1.0
  O  O16  1  0.970  0.527  0.958  1.0
  O  O17  1  0.716  0.284  0.284  1.0
  O  O18  1  0.289  0.711  0.711  1.0
  O  O19  1  0.722  0.700  0.286  1.0
  O  O20  1  0.293  0.286  0.700  1.0
  O  O21  1  0.706  0.292  0.723  1.0
[/CIF]
.