The material structure described by BiNdSr2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. 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 Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Nd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Nd(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Nd(1), and one Bi(1) atom to form distorted corner-sharing OSr2NdBi tetrahedra. is represented by the CIF file [CIF]
data_Sr2NdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.022
_cell_length_c   10.488
_cell_angle_alpha   55.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.577
_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  0.047  0.763  0.751  1.0
  Sr  Sr1  1  0.547  0.237  0.749  1.0
  Sr  Sr2  1  0.953  0.237  0.249  1.0
  Sr  Sr3  1  0.453  0.763  0.251  1.0
  Nd  Nd4  1  0.500  0.500  0.000  1.0
  Nd  Nd5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.194  0.233  0.053  1.0
  O  O9  1  0.694  0.767  0.447  1.0
  O  O10  1  0.806  0.767  0.947  1.0
  O  O11  1  0.306  0.233  0.553  1.0
  O  O12  1  0.716  0.130  0.060  1.0
  O  O13  1  0.216  0.870  0.440  1.0
  O  O14  1  0.284  0.870  0.940  1.0
  O  O15  1  0.784  0.130  0.560  1.0
  O  O16  1  0.544  0.342  0.263  1.0
  O  O17  1  0.044  0.658  0.237  1.0
  O  O18  1  0.456  0.658  0.737  1.0
  O  O19  1  0.956  0.342  0.763  1.0
[/CIF]
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The material structure described by BiNdSr2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. 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 Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Nd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Nd(1), and one Bi(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Nd(1), and one Bi(1) atom to form distorted corner-sharing OSr2NdBi tetrahedra. is represented by the CIF file [CIF]
data_Sr2NdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.022
_cell_length_c   10.488
_cell_angle_alpha   55.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.577
_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  0.047  0.763  0.751  1.0
  Sr  Sr1  1  0.547  0.237  0.749  1.0
  Sr  Sr2  1  0.953  0.237  0.249  1.0
  Sr  Sr3  1  0.453  0.763  0.251  1.0
  Nd  Nd4  1  0.500  0.500  0.000  1.0
  Nd  Nd5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.194  0.233  0.053  1.0
  O  O9  1  0.694  0.767  0.447  1.0
  O  O10  1  0.806  0.767  0.947  1.0
  O  O11  1  0.306  0.233  0.553  1.0
  O  O12  1  0.716  0.130  0.060  1.0
  O  O13  1  0.216  0.870  0.440  1.0
  O  O14  1  0.284  0.870  0.940  1.0
  O  O15  1  0.784  0.130  0.560  1.0
  O  O16  1  0.544  0.342  0.263  1.0
  O  O17  1  0.044  0.658  0.237  1.0
  O  O18  1  0.456  0.658  0.737  1.0
  O  O19  1  0.956  0.342  0.763  1.0
[/CIF]
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