The material described by Sr2GdBiO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Gd(1), and one Bi(1) atom to form distorted corner-sharing OSr2GdBi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Sr2GdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.142
_cell_length_c   8.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.008
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.107
_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
  Sr  Sr0  1  0.013  0.453  0.252  1.0
  Sr  Sr1  1  0.987  0.547  0.748  1.0
  Sr  Sr2  1  0.487  0.953  0.248  1.0
  Sr  Sr3  1  0.513  0.047  0.752  1.0
  Gd  Gd4  1  0.000  0.000  0.500  1.0
  Gd  Gd5  1  0.500  0.500  0.000  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.903  0.039  0.241  1.0
  O  O9  1  0.097  0.961  0.759  1.0
  O  O10  1  0.597  0.539  0.259  1.0
  O  O11  1  0.403  0.461  0.741  1.0
  O  O12  1  0.195  0.714  0.055  1.0
  O  O13  1  0.805  0.286  0.945  1.0
  O  O14  1  0.305  0.214  0.445  1.0
  O  O15  1  0.695  0.786  0.555  1.0
  O  O16  1  0.289  0.197  0.048  1.0
  O  O17  1  0.711  0.803  0.952  1.0
  O  O18  1  0.211  0.697  0.452  1.0
  O  O19  1  0.789  0.303  0.548  1.0
[/CIF]
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The material described by Sr2GdBiO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Gd(1), and one Bi(1) atom to form distorted corner-sharing OSr2GdBi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Gd(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Sr2GdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.142
_cell_length_c   8.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.008
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.107
_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
  Sr  Sr0  1  0.013  0.453  0.252  1.0
  Sr  Sr1  1  0.987  0.547  0.748  1.0
  Sr  Sr2  1  0.487  0.953  0.248  1.0
  Sr  Sr3  1  0.513  0.047  0.752  1.0
  Gd  Gd4  1  0.000  0.000  0.500  1.0
  Gd  Gd5  1  0.500  0.500  0.000  1.0
  Bi  Bi6  1  0.000  0.000  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.903  0.039  0.241  1.0
  O  O9  1  0.097  0.961  0.759  1.0
  O  O10  1  0.597  0.539  0.259  1.0
  O  O11  1  0.403  0.461  0.741  1.0
  O  O12  1  0.195  0.714  0.055  1.0
  O  O13  1  0.805  0.286  0.945  1.0
  O  O14  1  0.305  0.214  0.445  1.0
  O  O15  1  0.695  0.786  0.555  1.0
  O  O16  1  0.289  0.197  0.048  1.0
  O  O17  1  0.711  0.803  0.952  1.0
  O  O18  1  0.211  0.697  0.452  1.0
  O  O19  1  0.789  0.303  0.548  1.0
[/CIF]
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