The compound described by GdFe2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), two equivalent Fe(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Gd(1), two equivalent Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form distorted OFe2Bi2 tetrahedra that share corners with two equivalent O(3)Fe2Bi2 tetrahedra and corners with two equivalent O(4)Gd2Fe2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Gd(1) and two equivalent Fe(1) atoms to form distorted OGd2Fe2 tetrahedra that share corners with two equivalent O(3)Fe2Bi2 tetrahedra and corners with two equivalent O(4)Gd2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_GdFe2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   5.585
_cell_length_c   7.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.897
_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  0.236  0.440  0.500  1.0
  Gd  Gd1  1  0.764  0.940  0.500  1.0
  Fe  Fe2  1  0.249  1.000  0.747  1.0
  Fe  Fe3  1  0.751  0.500  0.253  1.0
  Fe  Fe4  1  0.249  1.000  0.253  1.0
  Fe  Fe5  1  0.751  0.500  0.747  1.0
  Bi  Bi6  1  0.262  0.551  0.000  1.0
  Bi  Bi7  1  0.738  0.051  0.000  1.0
  O  O8  1  0.556  0.800  0.789  1.0
  O  O9  1  0.444  0.300  0.211  1.0
  O  O10  1  0.947  0.201  0.301  1.0
  O  O11  1  0.053  0.701  0.699  1.0
  O  O12  1  0.947  0.201  0.699  1.0
  O  O13  1  0.053  0.701  0.301  1.0
  O  O14  1  0.556  0.800  0.211  1.0
  O  O15  1  0.444  0.300  0.789  1.0
  O  O16  1  0.161  0.975  0.000  1.0
  O  O17  1  0.839  0.475  0.000  1.0
  O  O18  1  0.344  0.030  0.500  1.0
  O  O19  1  0.656  0.530  0.500  1.0
[/CIF]
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The compound described by GdFe2BiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Gd(1), two equivalent Fe(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Gd(1), two equivalent Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Bi(1) atoms to form distorted OFe2Bi2 tetrahedra that share corners with two equivalent O(3)Fe2Bi2 tetrahedra and corners with two equivalent O(4)Gd2Fe2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Gd(1) and two equivalent Fe(1) atoms to form distorted OGd2Fe2 tetrahedra that share corners with two equivalent O(3)Fe2Bi2 tetrahedra and corners with two equivalent O(4)Gd2Fe2 tetrahedra. is represented by the CIF card [CIF]
data_GdFe2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   5.585
_cell_length_c   7.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.897
_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  0.236  0.440  0.500  1.0
  Gd  Gd1  1  0.764  0.940  0.500  1.0
  Fe  Fe2  1  0.249  1.000  0.747  1.0
  Fe  Fe3  1  0.751  0.500  0.253  1.0
  Fe  Fe4  1  0.249  1.000  0.253  1.0
  Fe  Fe5  1  0.751  0.500  0.747  1.0
  Bi  Bi6  1  0.262  0.551  0.000  1.0
  Bi  Bi7  1  0.738  0.051  0.000  1.0
  O  O8  1  0.556  0.800  0.789  1.0
  O  O9  1  0.444  0.300  0.211  1.0
  O  O10  1  0.947  0.201  0.301  1.0
  O  O11  1  0.053  0.701  0.699  1.0
  O  O12  1  0.947  0.201  0.699  1.0
  O  O13  1  0.053  0.701  0.301  1.0
  O  O14  1  0.556  0.800  0.211  1.0
  O  O15  1  0.444  0.300  0.789  1.0
  O  O16  1  0.161  0.975  0.000  1.0
  O  O17  1  0.839  0.475  0.000  1.0
  O  O18  1  0.344  0.030  0.500  1.0
  O  O19  1  0.656  0.530  0.500  1.0
[/CIF]
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