The material described by Sm2Ru2O7 crystallizes in the tetragonal I4_1/amd space group. Sm(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ru(1) 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 50-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra, edges with two equivalent O(2)Sm2Ru2 tetrahedra, and edges with four equivalent O(3)Sm2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, and edges with four equivalent O(3)Sm2Ru2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm2Ru2 tetrahedra, and edges with two equivalent O(3)Sm2Ru2 tetrahedra. is represented by the CIF file [CIF]
data_Sm2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.279
_cell_length_c   7.277
_cell_angle_alpha   60.009
_cell_angle_beta   60.009
_cell_angle_gamma   59.985
_symmetry_Int_Tables_number   1
_cell_volume   272.642
_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
  Sm  Sm0  1  0.625  0.625  0.625  1.0
  Sm  Sm1  1  0.125  0.625  0.625  1.0
  Sm  Sm2  1  0.625  0.625  0.125  1.0
  Sm  Sm3  1  0.625  0.125  0.625  1.0
  Ru  Ru4  1  0.125  0.125  0.125  1.0
  Ru  Ru5  1  0.625  0.125  0.125  1.0
  Ru  Ru6  1  0.125  0.125  0.625  1.0
  Ru  Ru7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.750  0.750  0.750  1.0
  O  O10  1  0.040  0.040  0.460  1.0
  O  O11  1  0.790  0.790  0.210  1.0
  O  O12  1  0.457  0.043  0.457  1.0
  O  O13  1  0.457  0.043  0.043  1.0
  O  O14  1  0.043  0.457  0.457  1.0
  O  O15  1  0.043  0.457  0.043  1.0
  O  O16  1  0.460  0.460  0.040  1.0
  O  O17  1  0.207  0.793  0.793  1.0
  O  O18  1  0.793  0.207  0.207  1.0
  O  O19  1  0.210  0.210  0.790  1.0
  O  O20  1  0.207  0.793  0.207  1.0
  O  O21  1  0.793  0.207  0.793  1.0
[/CIF]
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The material described by Sm2Ru2O7 crystallizes in the tetragonal I4_1/amd space group. Sm(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ru(1) 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 50-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with four equivalent O(1)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra, edges with two equivalent O(2)Sm2Ru2 tetrahedra, and edges with four equivalent O(3)Sm2Ru2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, and edges with four equivalent O(3)Sm2Ru2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(1)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Ru2 tetrahedra, corners with eight equivalent O(3)Sm2Ru2 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm2Ru2 tetrahedra, and edges with two equivalent O(3)Sm2Ru2 tetrahedra. is represented by the CIF file [CIF]
data_Sm2Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.279
_cell_length_c   7.277
_cell_angle_alpha   60.009
_cell_angle_beta   60.009
_cell_angle_gamma   59.985
_symmetry_Int_Tables_number   1
_cell_volume   272.642
_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
  Sm  Sm0  1  0.625  0.625  0.625  1.0
  Sm  Sm1  1  0.125  0.625  0.625  1.0
  Sm  Sm2  1  0.625  0.625  0.125  1.0
  Sm  Sm3  1  0.625  0.125  0.625  1.0
  Ru  Ru4  1  0.125  0.125  0.125  1.0
  Ru  Ru5  1  0.625  0.125  0.125  1.0
  Ru  Ru6  1  0.125  0.125  0.625  1.0
  Ru  Ru7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.750  0.750  0.750  1.0
  O  O10  1  0.040  0.040  0.460  1.0
  O  O11  1  0.790  0.790  0.210  1.0
  O  O12  1  0.457  0.043  0.457  1.0
  O  O13  1  0.457  0.043  0.043  1.0
  O  O14  1  0.043  0.457  0.457  1.0
  O  O15  1  0.043  0.457  0.043  1.0
  O  O16  1  0.460  0.460  0.040  1.0
  O  O17  1  0.207  0.793  0.793  1.0
  O  O18  1  0.793  0.207  0.207  1.0
  O  O19  1  0.210  0.210  0.790  1.0
  O  O20  1  0.207  0.793  0.207  1.0
  O  O21  1  0.793  0.207  0.793  1.0
[/CIF]
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