The compound described by Nd2MnGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Nd(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 Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2MnGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.473
_cell_length_c   9.441
_cell_angle_alpha   55.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.957
_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
  Nd  Nd0  1  0.934  0.734  0.750  1.0
  Nd  Nd1  1  0.434  0.266  0.750  1.0
  Nd  Nd2  1  0.066  0.266  0.250  1.0
  Nd  Nd3  1  0.566  0.734  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Ga  Ga7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.194  0.339  0.953  1.0
  O  O9  1  0.694  0.661  0.547  1.0
  O  O10  1  0.816  0.266  0.451  1.0
  O  O11  1  0.316  0.734  0.049  1.0
  O  O12  1  0.806  0.661  0.047  1.0
  O  O13  1  0.306  0.339  0.453  1.0
  O  O14  1  0.184  0.734  0.549  1.0
  O  O15  1  0.684  0.266  0.951  1.0
  O  O16  1  0.524  0.848  0.746  1.0
  O  O17  1  0.024  0.152  0.754  1.0
  O  O18  1  0.476  0.152  0.254  1.0
  O  O19  1  0.976  0.848  0.246  1.0
[/CIF]
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The compound described by Nd2MnGaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Nd(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 Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Nd(1), one Mn(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Mn(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2MnGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.473
_cell_length_c   9.441
_cell_angle_alpha   55.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.957
_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
  Nd  Nd0  1  0.934  0.734  0.750  1.0
  Nd  Nd1  1  0.434  0.266  0.750  1.0
  Nd  Nd2  1  0.066  0.266  0.250  1.0
  Nd  Nd3  1  0.566  0.734  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Ga  Ga7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.194  0.339  0.953  1.0
  O  O9  1  0.694  0.661  0.547  1.0
  O  O10  1  0.816  0.266  0.451  1.0
  O  O11  1  0.316  0.734  0.049  1.0
  O  O12  1  0.806  0.661  0.047  1.0
  O  O13  1  0.306  0.339  0.453  1.0
  O  O14  1  0.184  0.734  0.549  1.0
  O  O15  1  0.684  0.266  0.951  1.0
  O  O16  1  0.524  0.848  0.746  1.0
  O  O17  1  0.024  0.152  0.754  1.0
  O  O18  1  0.476  0.152  0.254  1.0
  O  O19  1  0.976  0.848  0.246  1.0
[/CIF]
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