The compound described by Gd2MnNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 32-35°. 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 32-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Gd(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 Gd(1), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Mn(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Gd2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.341
_cell_length_c   9.283
_cell_angle_alpha   55.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.466
_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
  Gd  Gd0  1  0.066  0.729  0.752  1.0
  Gd  Gd1  1  0.934  0.271  0.248  1.0
  Gd  Gd2  1  0.566  0.271  0.748  1.0
  Gd  Gd3  1  0.434  0.729  0.252  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.463  0.864  0.740  1.0
  O  O9  1  0.537  0.136  0.260  1.0
  O  O10  1  0.963  0.136  0.760  1.0
  O  O11  1  0.037  0.864  0.240  1.0
  O  O12  1  0.787  0.757  0.558  1.0
  O  O13  1  0.213  0.243  0.442  1.0
  O  O14  1  0.287  0.243  0.942  1.0
  O  O15  1  0.713  0.757  0.058  1.0
  O  O16  1  0.311  0.657  0.549  1.0
  O  O17  1  0.689  0.343  0.451  1.0
  O  O18  1  0.811  0.343  0.951  1.0
  O  O19  1  0.189  0.657  0.049  1.0
[/CIF]
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The compound described by Gd2MnNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) 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 32-35°. 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 32-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Gd(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 Gd(1), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Gd(1), one Mn(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Gd2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.341
_cell_length_c   9.283
_cell_angle_alpha   55.322
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.466
_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
  Gd  Gd0  1  0.066  0.729  0.752  1.0
  Gd  Gd1  1  0.934  0.271  0.248  1.0
  Gd  Gd2  1  0.566  0.271  0.748  1.0
  Gd  Gd3  1  0.434  0.729  0.252  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.463  0.864  0.740  1.0
  O  O9  1  0.537  0.136  0.260  1.0
  O  O10  1  0.963  0.136  0.760  1.0
  O  O11  1  0.037  0.864  0.240  1.0
  O  O12  1  0.787  0.757  0.558  1.0
  O  O13  1  0.213  0.243  0.442  1.0
  O  O14  1  0.287  0.243  0.942  1.0
  O  O15  1  0.713  0.757  0.058  1.0
  O  O16  1  0.311  0.657  0.549  1.0
  O  O17  1  0.689  0.343  0.451  1.0
  O  O18  1  0.811  0.343  0.951  1.0
  O  O19  1  0.189  0.657  0.049  1.0
[/CIF]
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