The compound described by Ca2Ru2O7 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted CaO8 hexagonal bipyramids that share edges with six equivalent Ca(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. Ru(1) is bonded to six equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Ca(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ru(1) atoms to form distorted OCa2Ru2 trigonal pyramids that share corners with two equivalent O(2)Ca4 tetrahedra, corners with twelve equivalent O(1)Ca2Ru2 trigonal pyramids,  an edgeedge with one O(2)Ca4 tetrahedra, and edges with four equivalent O(1)Ca2Ru2 trigonal pyramids. In the second O site, O(2) is bonded to four equivalent Ca(1) atoms to form OCa4 tetrahedra that share corners with four equivalent O(2)Ca4 tetrahedra, corners with twelve equivalent O(1)Ca2Ru2 trigonal pyramids, and edges with six equivalent O(1)Ca2Ru2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ca2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.239
_cell_length_b   7.239
_cell_length_c   7.239
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.256
_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
  Ca  Ca0  1  0.625  0.125  0.625  1.0
  Ca  Ca1  1  0.625  0.625  0.125  1.0
  Ca  Ca2  1  0.125  0.625  0.625  1.0
  Ca  Ca3  1  0.625  0.625  0.625  1.0
  Ru  Ru4  1  0.625  0.125  0.125  1.0
  Ru  Ru5  1  0.125  0.625  0.125  1.0
  Ru  Ru6  1  0.125  0.125  0.625  1.0
  Ru  Ru7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.195  0.195  0.805  1.0
  O  O9  1  0.195  0.805  0.195  1.0
  O  O10  1  0.445  0.055  0.055  1.0
  O  O11  1  0.195  0.805  0.805  1.0
  O  O12  1  0.055  0.445  0.445  1.0
  O  O13  1  0.805  0.805  0.195  1.0
  O  O14  1  0.445  0.445  0.055  1.0
  O  O15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.055  0.055  0.445  1.0
  O  O17  1  0.445  0.055  0.445  1.0
  O  O18  1  0.055  0.445  0.055  1.0
  O  O19  1  0.750  0.750  0.750  1.0
  O  O20  1  0.805  0.195  0.805  1.0
  O  O21  1  0.805  0.195  0.195  1.0
[/CIF]
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The compound described by Ca2Ru2O7 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted CaO8 hexagonal bipyramids that share edges with six equivalent Ca(1)O8 hexagonal bipyramids and edges with six equivalent Ru(1)O6 octahedra. Ru(1) is bonded to six equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra and edges with six equivalent Ca(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ru(1) atoms to form distorted OCa2Ru2 trigonal pyramids that share corners with two equivalent O(2)Ca4 tetrahedra, corners with twelve equivalent O(1)Ca2Ru2 trigonal pyramids,  an edgeedge with one O(2)Ca4 tetrahedra, and edges with four equivalent O(1)Ca2Ru2 trigonal pyramids. In the second O site, O(2) is bonded to four equivalent Ca(1) atoms to form OCa4 tetrahedra that share corners with four equivalent O(2)Ca4 tetrahedra, corners with twelve equivalent O(1)Ca2Ru2 trigonal pyramids, and edges with six equivalent O(1)Ca2Ru2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ca2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.239
_cell_length_b   7.239
_cell_length_c   7.239
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.256
_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
  Ca  Ca0  1  0.625  0.125  0.625  1.0
  Ca  Ca1  1  0.625  0.625  0.125  1.0
  Ca  Ca2  1  0.125  0.625  0.625  1.0
  Ca  Ca3  1  0.625  0.625  0.625  1.0
  Ru  Ru4  1  0.625  0.125  0.125  1.0
  Ru  Ru5  1  0.125  0.625  0.125  1.0
  Ru  Ru6  1  0.125  0.125  0.625  1.0
  Ru  Ru7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.195  0.195  0.805  1.0
  O  O9  1  0.195  0.805  0.195  1.0
  O  O10  1  0.445  0.055  0.055  1.0
  O  O11  1  0.195  0.805  0.805  1.0
  O  O12  1  0.055  0.445  0.445  1.0
  O  O13  1  0.805  0.805  0.195  1.0
  O  O14  1  0.445  0.445  0.055  1.0
  O  O15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.055  0.055  0.445  1.0
  O  O17  1  0.445  0.055  0.445  1.0
  O  O18  1  0.055  0.445  0.055  1.0
  O  O19  1  0.750  0.750  0.750  1.0
  O  O20  1  0.805  0.195  0.805  1.0
  O  O21  1  0.805  0.195  0.195  1.0
[/CIF]
.