The compound described by Y2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded to two equivalent Y(1), one Mn(1), and one Ni(1) atom to form distorted corner-sharing OY2MnNi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.600
_cell_length_c   7.579
_cell_angle_alpha   90.000
_cell_angle_beta   89.594
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.092
_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  0.481  0.429  0.749  1.0
  Y  Y1  1  0.019  0.929  0.751  1.0
  Y  Y2  1  0.519  0.571  0.251  1.0
  Y  Y3  1  0.981  0.071  0.249  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.202  0.188  0.947  1.0
  O  O9  1  0.298  0.688  0.553  1.0
  O  O10  1  0.798  0.812  0.053  1.0
  O  O11  1  0.702  0.312  0.447  1.0
  O  O12  1  0.184  0.207  0.558  1.0
  O  O13  1  0.316  0.707  0.942  1.0
  O  O14  1  0.816  0.793  0.442  1.0
  O  O15  1  0.684  0.293  0.058  1.0
  O  O16  1  0.108  0.463  0.258  1.0
  O  O17  1  0.392  0.963  0.242  1.0
  O  O18  1  0.892  0.537  0.742  1.0
  O  O19  1  0.608  0.037  0.758  1.0
[/CIF]
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The compound described by Y2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded to two equivalent Y(1), one Mn(1), and one Ni(1) atom to form distorted corner-sharing OY2MnNi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   5.600
_cell_length_c   7.579
_cell_angle_alpha   90.000
_cell_angle_beta   89.594
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.092
_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  0.481  0.429  0.749  1.0
  Y  Y1  1  0.019  0.929  0.751  1.0
  Y  Y2  1  0.519  0.571  0.251  1.0
  Y  Y3  1  0.981  0.071  0.249  1.0
  Mn  Mn4  1  0.500  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.500  1.0
  Ni  Ni7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.202  0.188  0.947  1.0
  O  O9  1  0.298  0.688  0.553  1.0
  O  O10  1  0.798  0.812  0.053  1.0
  O  O11  1  0.702  0.312  0.447  1.0
  O  O12  1  0.184  0.207  0.558  1.0
  O  O13  1  0.316  0.707  0.942  1.0
  O  O14  1  0.816  0.793  0.442  1.0
  O  O15  1  0.684  0.293  0.058  1.0
  O  O16  1  0.108  0.463  0.258  1.0
  O  O17  1  0.392  0.963  0.242  1.0
  O  O18  1  0.892  0.537  0.742  1.0
  O  O19  1  0.608  0.037  0.758  1.0
[/CIF]
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