The material described by Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. Tl(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent Tl(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra, and edges with six equivalent O(2)Tl2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ru(1) and two equivalent Tl(1) atoms to form distorted OTl2Ru2 tetrahedra that share corners with two equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(2)Tl2Ru2 tetrahedra. is represented by the CIF card [CIF]
data_Tl2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.242
_cell_length_b   7.242
_cell_length_c   7.241
_cell_angle_alpha   60.005
_cell_angle_beta   60.005
_cell_angle_gamma   60.007
_symmetry_Int_Tables_number   1
_cell_volume   268.573
_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
  Tl  Tl0  1  0.125  0.125  0.625  1.0
  Tl  Tl1  1  0.125  0.625  0.125  1.0
  Tl  Tl2  1  0.625  0.125  0.125  1.0
  Tl  Tl3  1  0.125  0.125  0.125  1.0
  Ru  Ru4  1  0.625  0.625  0.125  1.0
  Ru  Ru5  1  0.625  0.125  0.625  1.0
  Ru  Ru6  1  0.125  0.625  0.625  1.0
  Ru  Ru7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  1.000  1.000  1.000  1.0
  O  O10  1  0.550  0.950  0.550  1.0
  O  O11  1  0.300  0.700  0.300  1.0
  O  O12  1  0.550  0.550  0.950  1.0
  O  O13  1  0.950  0.550  0.550  1.0
  O  O14  1  0.550  0.950  0.950  1.0
  O  O15  1  0.950  0.950  0.550  1.0
  O  O16  1  0.950  0.550  0.950  1.0
  O  O17  1  0.700  0.300  0.300  1.0
  O  O18  1  0.300  0.700  0.700  1.0
  O  O19  1  0.700  0.300  0.700  1.0
  O  O20  1  0.300  0.300  0.700  1.0
  O  O21  1  0.700  0.700  0.300  1.0
[/CIF]
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The material described by Tl2Ru2O7 crystallizes in the cubic Fd-3m space group. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Tl(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. Tl(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted TlO8 hexagonal bipyramids that share edges with six equivalent Tl(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra, and edges with six equivalent O(2)Tl2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ru(1) and two equivalent Tl(1) atoms to form distorted OTl2Ru2 tetrahedra that share corners with two equivalent O(1)Tl4 tetrahedra, corners with twelve equivalent O(2)Tl2Ru2 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(2)Tl2Ru2 tetrahedra. is represented by the CIF card [CIF]
data_Tl2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.242
_cell_length_b   7.242
_cell_length_c   7.241
_cell_angle_alpha   60.005
_cell_angle_beta   60.005
_cell_angle_gamma   60.007
_symmetry_Int_Tables_number   1
_cell_volume   268.573
_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
  Tl  Tl0  1  0.125  0.125  0.625  1.0
  Tl  Tl1  1  0.125  0.625  0.125  1.0
  Tl  Tl2  1  0.625  0.125  0.125  1.0
  Tl  Tl3  1  0.125  0.125  0.125  1.0
  Ru  Ru4  1  0.625  0.625  0.125  1.0
  Ru  Ru5  1  0.625  0.125  0.625  1.0
  Ru  Ru6  1  0.125  0.625  0.625  1.0
  Ru  Ru7  1  0.625  0.625  0.625  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  1.000  1.000  1.000  1.0
  O  O10  1  0.550  0.950  0.550  1.0
  O  O11  1  0.300  0.700  0.300  1.0
  O  O12  1  0.550  0.550  0.950  1.0
  O  O13  1  0.950  0.550  0.550  1.0
  O  O14  1  0.550  0.950  0.950  1.0
  O  O15  1  0.950  0.950  0.550  1.0
  O  O16  1  0.950  0.550  0.950  1.0
  O  O17  1  0.700  0.300  0.300  1.0
  O  O18  1  0.300  0.700  0.700  1.0
  O  O19  1  0.700  0.300  0.700  1.0
  O  O20  1  0.300  0.300  0.700  1.0
  O  O21  1  0.700  0.700  0.300  1.0
[/CIF]
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