The compound described by LiSr3BiO6 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. Bi(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Sr(2), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF card [CIF]
data_Sr3LiBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.992
_cell_length_b   6.992
_cell_length_c   6.991
_cell_angle_alpha   87.685
_cell_angle_beta   87.685
_cell_angle_gamma   92.513
_symmetry_Int_Tables_number   1
_cell_volume   340.849
_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  0.897  0.748  0.397  1.0
  Sr  Sr1  1  0.250  0.099  0.100  1.0
  Sr  Sr2  1  0.599  0.401  0.749  1.0
  Sr  Sr3  1  0.748  0.897  0.897  1.0
  Sr  Sr4  1  0.401  0.599  0.249  1.0
  Sr  Sr5  1  0.099  0.250  0.600  1.0
  Li  Li6  1  0.228  0.750  0.728  1.0
  Li  Li7  1  0.750  0.228  0.228  1.0
  Bi  Bi8  1  0.500  0.001  0.501  1.0
  Bi  Bi9  1  0.001  0.500  0.001  1.0
  O  O10  1  0.208  0.917  0.455  1.0
  O  O11  1  0.422  0.052  0.792  1.0
  O  O12  1  0.549  0.708  0.576  1.0
  O  O13  1  0.917  0.208  0.955  1.0
  O  O14  1  0.708  0.549  0.076  1.0
  O  O15  1  0.052  0.422  0.292  1.0
  O  O16  1  0.793  0.077  0.549  1.0
  O  O17  1  0.582  0.955  0.208  1.0
  O  O18  1  0.448  0.291  0.421  1.0
  O  O19  1  0.077  0.793  0.049  1.0
  O  O20  1  0.291  0.448  0.921  1.0
  O  O21  1  0.955  0.582  0.708  1.0
[/CIF]
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The compound described by LiSr3BiO6 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. Bi(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(3), two equivalent Sr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), one Sr(3), two equivalent Sr(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Sr(2), two equivalent Sr(3), and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OSr4LiBi octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF card [CIF]
data_Sr3LiBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.992
_cell_length_b   6.992
_cell_length_c   6.991
_cell_angle_alpha   87.685
_cell_angle_beta   87.685
_cell_angle_gamma   92.513
_symmetry_Int_Tables_number   1
_cell_volume   340.849
_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  0.897  0.748  0.397  1.0
  Sr  Sr1  1  0.250  0.099  0.100  1.0
  Sr  Sr2  1  0.599  0.401  0.749  1.0
  Sr  Sr3  1  0.748  0.897  0.897  1.0
  Sr  Sr4  1  0.401  0.599  0.249  1.0
  Sr  Sr5  1  0.099  0.250  0.600  1.0
  Li  Li6  1  0.228  0.750  0.728  1.0
  Li  Li7  1  0.750  0.228  0.228  1.0
  Bi  Bi8  1  0.500  0.001  0.501  1.0
  Bi  Bi9  1  0.001  0.500  0.001  1.0
  O  O10  1  0.208  0.917  0.455  1.0
  O  O11  1  0.422  0.052  0.792  1.0
  O  O12  1  0.549  0.708  0.576  1.0
  O  O13  1  0.917  0.208  0.955  1.0
  O  O14  1  0.708  0.549  0.076  1.0
  O  O15  1  0.052  0.422  0.292  1.0
  O  O16  1  0.793  0.077  0.549  1.0
  O  O17  1  0.582  0.955  0.208  1.0
  O  O18  1  0.448  0.291  0.421  1.0
  O  O19  1  0.077  0.793  0.049  1.0
  O  O20  1  0.291  0.448  0.921  1.0
  O  O21  1  0.955  0.582  0.708  1.0
[/CIF]
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