The material structure described by Lu3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ru site, Ru(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Bi(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Bi(1) atom to form OLu3Bi tetrahedra that share corners with four equivalent O(1)Lu3Bi tetrahedra, corners with six equivalent O(2)Lu2Ru2 tetrahedra, corners with six equivalent O(3)LuBiRu2 tetrahedra, edges with three equivalent O(2)Lu2Ru2 tetrahedra, and edges with three equivalent O(3)LuBiRu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1), one Ru(1), and one Ru(2) atom to form distorted OLu2Ru2 tetrahedra that share corners with two equivalent O(1)Lu3Bi tetrahedra, corners with four equivalent O(3)LuBiRu2 tetrahedra, corners with eight equivalent O(2)Lu2Ru2 tetrahedra,  an edgeedge with one O(1)Lu3Bi tetrahedra, edges with two equivalent O(2)Lu2Ru2 tetrahedra, and edges with two equivalent O(3)LuBiRu2 tetrahedra. In the third O site, O(3) is bonded to one Lu(1), two equivalent Ru(2), and one Bi(1) atom to form distorted OLuBiRu2 tetrahedra that share corners with two equivalent O(1)Lu3Bi tetrahedra, corners with four equivalent O(2)Lu2Ru2 tetrahedra, corners with eight equivalent O(3)LuBiRu2 tetrahedra,  an edgeedge with one O(1)Lu3Bi tetrahedra, edges with two equivalent O(2)Lu2Ru2 tetrahedra, and edges with two equivalent O(3)LuBiRu2 tetrahedra. is represented by the CIF file [CIF]
data_Lu3Bi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.197
_cell_length_b   7.197
_cell_length_c   7.190
_cell_angle_alpha   90.000
_cell_angle_beta   59.965
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.226
_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
  Lu  Lu0  1  0.250  0.375  0.375  1.0
  Lu  Lu1  1  0.250  0.875  0.375  1.0
  Lu  Lu2  1  0.750  0.375  0.375  1.0
  Bi  Bi3  1  0.750  0.375  0.875  1.0
  Ru  Ru4  1  0.750  0.875  0.375  1.0
  Ru  Ru5  1  0.250  0.875  0.875  1.0
  Ru  Ru6  1  0.250  0.375  0.875  1.0
  Ru  Ru7  1  0.750  0.875  0.875  1.0
  O  O8  1  0.488  0.244  0.268  1.0
  O  O9  1  0.012  0.506  0.482  1.0
  O  O10  1  0.926  0.963  0.537  1.0
  O  O11  1  0.500  0.537  0.537  1.0
  O  O12  1  0.500  0.963  0.537  1.0
  O  O13  1  0.078  0.539  0.965  1.0
  O  O14  1  0.496  0.957  0.965  1.0
  O  O15  1  0.496  0.539  0.965  1.0
  O  O16  1  0.574  0.787  0.213  1.0
  O  O17  1  0.000  0.213  0.213  1.0
  O  O18  1  0.000  0.787  0.213  1.0
  O  O19  1  0.422  0.211  0.785  1.0
  O  O20  1  0.004  0.793  0.785  1.0
  O  O21  1  0.004  0.211  0.785  1.0
[/CIF]
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The material structure described by Lu3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ru site, Ru(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Bi(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Lu(1) and one Bi(1) atom to form OLu3Bi tetrahedra that share corners with four equivalent O(1)Lu3Bi tetrahedra, corners with six equivalent O(2)Lu2Ru2 tetrahedra, corners with six equivalent O(3)LuBiRu2 tetrahedra, edges with three equivalent O(2)Lu2Ru2 tetrahedra, and edges with three equivalent O(3)LuBiRu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1), one Ru(1), and one Ru(2) atom to form distorted OLu2Ru2 tetrahedra that share corners with two equivalent O(1)Lu3Bi tetrahedra, corners with four equivalent O(3)LuBiRu2 tetrahedra, corners with eight equivalent O(2)Lu2Ru2 tetrahedra,  an edgeedge with one O(1)Lu3Bi tetrahedra, edges with two equivalent O(2)Lu2Ru2 tetrahedra, and edges with two equivalent O(3)LuBiRu2 tetrahedra. In the third O site, O(3) is bonded to one Lu(1), two equivalent Ru(2), and one Bi(1) atom to form distorted OLuBiRu2 tetrahedra that share corners with two equivalent O(1)Lu3Bi tetrahedra, corners with four equivalent O(2)Lu2Ru2 tetrahedra, corners with eight equivalent O(3)LuBiRu2 tetrahedra,  an edgeedge with one O(1)Lu3Bi tetrahedra, edges with two equivalent O(2)Lu2Ru2 tetrahedra, and edges with two equivalent O(3)LuBiRu2 tetrahedra. is represented by the CIF file [CIF]
data_Lu3Bi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.197
_cell_length_b   7.197
_cell_length_c   7.190
_cell_angle_alpha   90.000
_cell_angle_beta   59.965
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   263.226
_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
  Lu  Lu0  1  0.250  0.375  0.375  1.0
  Lu  Lu1  1  0.250  0.875  0.375  1.0
  Lu  Lu2  1  0.750  0.375  0.375  1.0
  Bi  Bi3  1  0.750  0.375  0.875  1.0
  Ru  Ru4  1  0.750  0.875  0.375  1.0
  Ru  Ru5  1  0.250  0.875  0.875  1.0
  Ru  Ru6  1  0.250  0.375  0.875  1.0
  Ru  Ru7  1  0.750  0.875  0.875  1.0
  O  O8  1  0.488  0.244  0.268  1.0
  O  O9  1  0.012  0.506  0.482  1.0
  O  O10  1  0.926  0.963  0.537  1.0
  O  O11  1  0.500  0.537  0.537  1.0
  O  O12  1  0.500  0.963  0.537  1.0
  O  O13  1  0.078  0.539  0.965  1.0
  O  O14  1  0.496  0.957  0.965  1.0
  O  O15  1  0.496  0.539  0.965  1.0
  O  O16  1  0.574  0.787  0.213  1.0
  O  O17  1  0.000  0.213  0.213  1.0
  O  O18  1  0.000  0.787  0.213  1.0
  O  O19  1  0.422  0.211  0.785  1.0
  O  O20  1  0.004  0.793  0.785  1.0
  O  O21  1  0.004  0.211  0.785  1.0
[/CIF]
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