The crystal structure described by Y2Mn2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Mn2 tetrahedra, and edges with six equivalent O(2)Y2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form distorted OY2Mn2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Mn2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with four equivalent O(2)Y2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Y2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.001
_cell_length_b   7.001
_cell_length_c   7.001
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.670
_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  0.125  0.625  1.0
  Y  Y3  1  0.125  0.625  0.125  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  Mn  Mn6  1  0.625  0.625  0.125  1.0
  Mn  Mn7  1  0.625  0.125  0.625  1.0
  O  O8  1  1.000  0.000  1.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.297  0.297  0.703  1.0
  O  O11  1  0.547  0.547  0.953  1.0
  O  O12  1  0.703  0.297  0.703  1.0
  O  O13  1  0.703  0.297  0.297  1.0
  O  O14  1  0.297  0.703  0.703  1.0
  O  O15  1  0.297  0.703  0.297  1.0
  O  O16  1  0.703  0.703  0.297  1.0
  O  O17  1  0.953  0.547  0.547  1.0
  O  O18  1  0.547  0.953  0.953  1.0
  O  O19  1  0.953  0.953  0.547  1.0
  O  O20  1  0.953  0.547  0.953  1.0
  O  O21  1  0.547  0.953  0.547  1.0
[/CIF]
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The crystal structure described by Y2Mn2O7 crystallizes in the cubic Fd-3m space group. Y(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Y(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Mn2 tetrahedra, and edges with six equivalent O(2)Y2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form distorted OY2Mn2 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with twelve equivalent O(2)Y2Mn2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with four equivalent O(2)Y2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Y2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.001
_cell_length_b   7.001
_cell_length_c   7.001
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.670
_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  0.125  0.625  1.0
  Y  Y3  1  0.125  0.625  0.125  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  Mn  Mn6  1  0.625  0.625  0.125  1.0
  Mn  Mn7  1  0.625  0.125  0.625  1.0
  O  O8  1  1.000  0.000  1.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.297  0.297  0.703  1.0
  O  O11  1  0.547  0.547  0.953  1.0
  O  O12  1  0.703  0.297  0.703  1.0
  O  O13  1  0.703  0.297  0.297  1.0
  O  O14  1  0.297  0.703  0.703  1.0
  O  O15  1  0.297  0.703  0.297  1.0
  O  O16  1  0.703  0.703  0.297  1.0
  O  O17  1  0.953  0.547  0.547  1.0
  O  O18  1  0.547  0.953  0.953  1.0
  O  O19  1  0.953  0.953  0.547  1.0
  O  O20  1  0.953  0.547  0.953  1.0
  O  O21  1  0.547  0.953  0.547  1.0
[/CIF]
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