The crystal structure described by MgY2Mn2O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O4 tetrahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(3) atoms. In the second Y site, Y(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and edges with six equivalent Y(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and three equivalent O(6) atoms to form MnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Y(2)O6 octahedra, corners with six equivalent Mn(1)O4 tetrahedra, and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), and three equivalent O(5) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Y(2)O6 octahedra and corners with six equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. There are six inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Mn(2) atom to form distorted OY3Mn tetrahedra that share  a cornercorner with one O(4)Y3Mn tetrahedra, corners with six equivalent O(1)Y3Mn tetrahedra, and edges with three equivalent O(5)YMn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Y(2) and one Mn(1) atom to form distorted OY3Mn tetrahedra that share corners with three equivalent O(6)Mg3Mn3 octahedra, corners with three equivalent O(4)Y3Mn tetrahedra, corners with six equivalent O(2)Y3Mn tetrahedra, and edges with three equivalent O(4)Y3Mn tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Y(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Y(2) and one Mn(2) atom to form OY3Mn tetrahedra that share  a cornercorner with one O(1)Y3Mn tetrahedra, corners with three equivalent O(2)Y3Mn tetrahedra, corners with three equivalent O(5)YMn3 tetrahedra, corners with six equivalent O(4)Y3Mn tetrahedra, and edges with three equivalent O(2)Y3Mn tetrahedra. In the fifth O site, O(5) is bonded to one Y(1) and three equivalent Mn(2) atoms to form OYMn3 tetrahedra that share corners with three equivalent O(4)Y3Mn tetrahedra, corners with six equivalent O(5)YMn3 tetrahedra, and edges with three equivalent O(1)Y3Mn tetrahedra. In the sixth O site, O(6) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form distorted OMg3Mn3 octahedra that share corners with three equivalent O(2)Y3Mn tetrahedra and edges with six equivalent O(6)Mg3Mn3 octahedra. is represented by the CIF card [CIF]
data_Y2MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   3.550
_cell_length_c   14.013
_cell_angle_alpha   89.839
_cell_angle_beta   90.161
_cell_angle_gamma   120.223
_symmetry_Int_Tables_number   1
_cell_volume   152.629
_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
  Y  Y0  1  0.002  0.998  0.443  1.0
  Y  Y1  1  0.000  1.000  0.020  1.0
  Mg  Mg2  1  0.336  0.664  0.628  1.0
  Mn  Mn3  1  0.666  0.334  0.794  1.0
  Mn  Mn4  1  0.334  0.666  0.243  1.0
  O  O5  1  0.334  0.666  0.415  1.0
  O  O6  1  0.666  0.334  0.936  1.0
  O  O7  1  0.667  0.333  0.571  1.0
  O  O8  1  0.333  0.667  0.089  1.0
  O  O9  1  0.001  0.999  0.276  1.0
  O  O10  1  0.998  0.002  0.733  1.0
[/CIF]
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The crystal structure described by MgY2Mn2O6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with three equivalent Mn(1)O4 tetrahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(3) atoms. In the second Y site, Y(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and edges with six equivalent Y(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2) and three equivalent O(6) atoms to form MnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Y(2)O6 octahedra, corners with six equivalent Mn(1)O4 tetrahedra, and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-60°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), and three equivalent O(5) atoms to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Y(2)O6 octahedra and corners with six equivalent Mn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 65°. There are six inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Mn(2) atom to form distorted OY3Mn tetrahedra that share  a cornercorner with one O(4)Y3Mn tetrahedra, corners with six equivalent O(1)Y3Mn tetrahedra, and edges with three equivalent O(5)YMn3 tetrahedra. In the second O site, O(2) is bonded to three equivalent Y(2) and one Mn(1) atom to form distorted OY3Mn tetrahedra that share corners with three equivalent O(6)Mg3Mn3 octahedra, corners with three equivalent O(4)Y3Mn tetrahedra, corners with six equivalent O(2)Y3Mn tetrahedra, and edges with three equivalent O(4)Y3Mn tetrahedra. The corner-sharing octahedral tilt angles are 67°. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Y(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Y(2) and one Mn(2) atom to form OY3Mn tetrahedra that share  a cornercorner with one O(1)Y3Mn tetrahedra, corners with three equivalent O(2)Y3Mn tetrahedra, corners with three equivalent O(5)YMn3 tetrahedra, corners with six equivalent O(4)Y3Mn tetrahedra, and edges with three equivalent O(2)Y3Mn tetrahedra. In the fifth O site, O(5) is bonded to one Y(1) and three equivalent Mn(2) atoms to form OYMn3 tetrahedra that share corners with three equivalent O(4)Y3Mn tetrahedra, corners with six equivalent O(5)YMn3 tetrahedra, and edges with three equivalent O(1)Y3Mn tetrahedra. In the sixth O site, O(6) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form distorted OMg3Mn3 octahedra that share corners with three equivalent O(2)Y3Mn tetrahedra and edges with six equivalent O(6)Mg3Mn3 octahedra. is represented by the CIF card [CIF]
data_Y2MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   3.550
_cell_length_c   14.013
_cell_angle_alpha   89.839
_cell_angle_beta   90.161
_cell_angle_gamma   120.223
_symmetry_Int_Tables_number   1
_cell_volume   152.629
_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
  Y  Y0  1  0.002  0.998  0.443  1.0
  Y  Y1  1  0.000  1.000  0.020  1.0
  Mg  Mg2  1  0.336  0.664  0.628  1.0
  Mn  Mn3  1  0.666  0.334  0.794  1.0
  Mn  Mn4  1  0.334  0.666  0.243  1.0
  O  O5  1  0.334  0.666  0.415  1.0
  O  O6  1  0.666  0.334  0.936  1.0
  O  O7  1  0.667  0.333  0.571  1.0
  O  O8  1  0.333  0.667  0.089  1.0
  O  O9  1  0.001  0.999  0.276  1.0
  O  O10  1  0.998  0.002  0.733  1.0
[/CIF]
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