The structure described by LiSm3Bi(Ru2O7)2 crystallizes in the trigonal R3m space group. Li(1) is bonded to one Ru(1), three equivalent Ru(2), three equivalent O(5), and three equivalent O(6) atoms to form distorted LiRu4O6 octahedra that share corners with three equivalent Bi(1)O8 hexagonal bipyramids, corners with nine equivalent Sm(1)O8 hexagonal bipyramids, corners with six equivalent O(3)Sm2Ru2 tetrahedra, and corners with six equivalent O(4)SmBiRu2 tetrahedra. Sm(1) is bonded to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Li(1)Ru4O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, and edges with four equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(3), and three equivalent O(5) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one Li(1), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. Bi(1) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted BiO8 hexagonal bipyramids that share corners with three equivalent Li(1)Ru4O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Sm(1), two equivalent Ru(2), and one Bi(1) atom to form distorted OSmBiRu2 tetrahedra that share corners with two equivalent Li(1)Ru4O6 octahedra, corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, corners with four equivalent O(4)SmBiRu2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. The corner-sharing octahedral tilt angles are 61°. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sm(1), one Ru(1), and one Ru(2) atom. In the third O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the fourth O site, O(1) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(2)Sm3Bi tetrahedra, edges with three equivalent O(3)Sm2Ru2 tetrahedra, and edges with three equivalent O(4)SmBiRu2 tetrahedra. In the fifth O site, O(2) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(1)Sm3Bi tetrahedra, corners with six equivalent O(3)Sm2Ru2 tetrahedra, and corners with six equivalent O(4)SmBiRu2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(1), one Ru(1), and one Ru(2) atom to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent Li(1)Ru4O6 octahedra, corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, corners with four equivalent O(4)SmBiRu2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm3Bi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.411
_cell_length_b   7.411
_cell_length_c   7.364
_cell_angle_alpha   90.003
_cell_angle_beta   59.786
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   285.067
_cell_formula_units_Z   1
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
  Li  Li0  1  1.000  1.000  0.000  1.0
  Sm  Sm1  1  0.250  0.376  0.374  1.0
  Sm  Sm2  1  0.250  0.874  0.373  1.0
  Sm  Sm3  1  0.752  0.376  0.374  1.0
  Bi  Bi4  1  0.751  0.375  0.873  1.0
  Ru  Ru5  1  0.739  0.869  0.392  1.0
  Ru  Ru6  1  0.261  0.870  0.869  1.0
  Ru  Ru7  1  0.261  0.391  0.869  1.0
  Ru  Ru8  1  0.740  0.870  0.869  1.0
  O  O9  1  0.495  0.248  0.257  1.0
  O  O10  1  0.004  0.502  0.494  1.0
  O  O11  1  0.910  0.955  0.545  1.0
  O  O12  1  0.500  0.545  0.545  1.0
  O  O13  1  0.500  0.955  0.545  1.0
  O  O14  1  0.095  0.548  0.953  1.0
  O  O15  1  0.500  0.952  0.953  1.0
  O  O16  1  0.500  0.548  0.953  1.0
  O  O17  1  0.582  0.791  0.209  1.0
  O  O18  1  1.000  0.209  0.209  1.0
  O  O19  1  1.000  0.791  0.209  1.0
  O  O20  1  0.412  0.206  0.795  1.0
  O  O21  1  0.999  0.793  0.795  1.0
  O  O22  1  0.999  0.206  0.795  1.0
[/CIF]
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The structure described by LiSm3Bi(Ru2O7)2 crystallizes in the trigonal R3m space group. Li(1) is bonded to one Ru(1), three equivalent Ru(2), three equivalent O(5), and three equivalent O(6) atoms to form distorted LiRu4O6 octahedra that share corners with three equivalent Bi(1)O8 hexagonal bipyramids, corners with nine equivalent Sm(1)O8 hexagonal bipyramids, corners with six equivalent O(3)Sm2Ru2 tetrahedra, and corners with six equivalent O(4)SmBiRu2 tetrahedra. Sm(1) is bonded to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Li(1)Ru4O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, and edges with four equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 7-coordinate geometry to one Li(1), three equivalent O(3), and three equivalent O(5) atoms. In the second Ru site, Ru(2) is bonded in a 6-coordinate geometry to one Li(1), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. Bi(1) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted BiO8 hexagonal bipyramids that share corners with three equivalent Li(1)Ru4O6 octahedra and edges with six equivalent Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Sm(1), two equivalent Ru(2), and one Bi(1) atom to form distorted OSmBiRu2 tetrahedra that share corners with two equivalent Li(1)Ru4O6 octahedra, corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, corners with four equivalent O(4)SmBiRu2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. The corner-sharing octahedral tilt angles are 61°. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sm(1), one Ru(1), and one Ru(2) atom. In the third O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the fourth O site, O(1) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(2)Sm3Bi tetrahedra, edges with three equivalent O(3)Sm2Ru2 tetrahedra, and edges with three equivalent O(4)SmBiRu2 tetrahedra. In the fifth O site, O(2) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(1)Sm3Bi tetrahedra, corners with six equivalent O(3)Sm2Ru2 tetrahedra, and corners with six equivalent O(4)SmBiRu2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(1), one Ru(1), and one Ru(2) atom to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent Li(1)Ru4O6 octahedra, corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, corners with four equivalent O(4)SmBiRu2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm3Bi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.411
_cell_length_b   7.411
_cell_length_c   7.364
_cell_angle_alpha   90.003
_cell_angle_beta   59.786
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   285.067
_cell_formula_units_Z   1
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
  Li  Li0  1  1.000  1.000  0.000  1.0
  Sm  Sm1  1  0.250  0.376  0.374  1.0
  Sm  Sm2  1  0.250  0.874  0.373  1.0
  Sm  Sm3  1  0.752  0.376  0.374  1.0
  Bi  Bi4  1  0.751  0.375  0.873  1.0
  Ru  Ru5  1  0.739  0.869  0.392  1.0
  Ru  Ru6  1  0.261  0.870  0.869  1.0
  Ru  Ru7  1  0.261  0.391  0.869  1.0
  Ru  Ru8  1  0.740  0.870  0.869  1.0
  O  O9  1  0.495  0.248  0.257  1.0
  O  O10  1  0.004  0.502  0.494  1.0
  O  O11  1  0.910  0.955  0.545  1.0
  O  O12  1  0.500  0.545  0.545  1.0
  O  O13  1  0.500  0.955  0.545  1.0
  O  O14  1  0.095  0.548  0.953  1.0
  O  O15  1  0.500  0.952  0.953  1.0
  O  O16  1  0.500  0.548  0.953  1.0
  O  O17  1  0.582  0.791  0.209  1.0
  O  O18  1  1.000  0.209  0.209  1.0
  O  O19  1  1.000  0.791  0.209  1.0
  O  O20  1  0.412  0.206  0.795  1.0
  O  O21  1  0.999  0.793  0.795  1.0
  O  O22  1  0.999  0.206  0.795  1.0
[/CIF]
.