The compound described by Sr2SmBiO6 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. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. 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 Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Sm(1), and one Bi(1) atom to form distorted corner-sharing OSr2SmBi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(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 Sm(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SmBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.169
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.026
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.069
_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  0.452  0.253  1.0
  Sr  Sr1  1  0.987  0.548  0.747  1.0
  Sr  Sr2  1  0.487  0.952  0.247  1.0
  Sr  Sr3  1  0.513  0.048  0.753  1.0
  Sm  Sm4  1  0.000  0.000  0.500  1.0
  Sm  Sm5  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  0.900  0.042  0.239  1.0
  O  O9  1  0.100  0.958  0.761  1.0
  O  O10  1  0.600  0.542  0.261  1.0
  O  O11  1  0.400  0.458  0.739  1.0
  O  O12  1  0.192  0.715  0.057  1.0
  O  O13  1  0.808  0.285  0.943  1.0
  O  O14  1  0.308  0.215  0.443  1.0
  O  O15  1  0.692  0.785  0.557  1.0
  O  O16  1  0.289  0.194  0.048  1.0
  O  O17  1  0.711  0.806  0.952  1.0
  O  O18  1  0.211  0.694  0.452  1.0
  O  O19  1  0.789  0.306  0.548  1.0
[/CIF]
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The compound described by Sr2SmBiO6 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. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. 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 Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Sm(1), and one Bi(1) atom to form distorted corner-sharing OSr2SmBi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(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 Sm(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2SmBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.169
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.026
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.069
_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  0.452  0.253  1.0
  Sr  Sr1  1  0.987  0.548  0.747  1.0
  Sr  Sr2  1  0.487  0.952  0.247  1.0
  Sr  Sr3  1  0.513  0.048  0.753  1.0
  Sm  Sm4  1  0.000  0.000  0.500  1.0
  Sm  Sm5  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  0.900  0.042  0.239  1.0
  O  O9  1  0.100  0.958  0.761  1.0
  O  O10  1  0.600  0.542  0.261  1.0
  O  O11  1  0.400  0.458  0.739  1.0
  O  O12  1  0.192  0.715  0.057  1.0
  O  O13  1  0.808  0.285  0.943  1.0
  O  O14  1  0.308  0.215  0.443  1.0
  O  O15  1  0.692  0.785  0.557  1.0
  O  O16  1  0.289  0.194  0.048  1.0
  O  O17  1  0.711  0.806  0.952  1.0
  O  O18  1  0.211  0.694  0.452  1.0
  O  O19  1  0.789  0.306  0.548  1.0
[/CIF]
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