The material structure described by Sm2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted SmO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Sm(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form RuO5 trigonal bipyramids that share corners with three equivalent Sm(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Sm(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1) and three equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(5)Sm2Ru2 tetrahedra, corners with two equivalent O(1)Sm4 tetrahedra, corners with five equivalent O(2)Sm3Ru tetrahedra, corners with five equivalent O(3)Sm3Ru tetrahedra,  an edgeedge with one O(5)Sm2Ru2 tetrahedra,  an edgeedge with one O(2)Sm3Ru tetrahedra, and edges with two equivalent O(1)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), two equivalent Sm(2), and one Ru(1) atom to form OSm3Ru tetrahedra that share  a cornercorner with one O(5)Sm2Ru2 tetrahedra,  a cornercorner with one O(3)Sm3Ru tetrahedra, corners with two equivalent O(2)Sm3Ru tetrahedra, corners with five equivalent O(1)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(5)Sm2Ru2 tetrahedra, and edges with two equivalent O(3)Sm3Ru tetrahedra. In the third O site, O(3) is bonded to one Sm(2), two equivalent Sm(1), and one Ru(1) atom to form OSm3Ru tetrahedra that share  a cornercorner with one O(5)Sm2Ru2 tetrahedra,  a cornercorner with one O(2)Sm3Ru tetrahedra, corners with two equivalent O(3)Sm3Ru tetrahedra, corners with five equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(5)Sm2Ru2 tetrahedra, and edges with two equivalent O(2)Sm3Ru tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share  a cornercorner with one O(2)Sm3Ru tetrahedra,  a cornercorner with one O(3)Sm3Ru tetrahedra, corners with two equivalent O(5)Sm2Ru2 tetrahedra, corners with two equivalent O(1)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm3Ru tetrahedra, and edges with two equivalent O(3)Sm3Ru tetrahedra. is represented by the CIF card [CIF]
data_Sm2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   10.539
_cell_length_c   11.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.321
_cell_formula_units_Z   4
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  0.250  0.604  0.231  1.0
  Sm  Sm1  1  0.750  0.396  0.769  1.0
  Sm  Sm2  1  0.750  0.896  0.731  1.0
  Sm  Sm3  1  0.250  0.104  0.269  1.0
  Sm  Sm4  1  0.250  0.633  0.565  1.0
  Sm  Sm5  1  0.750  0.367  0.435  1.0
  Sm  Sm6  1  0.750  0.867  0.065  1.0
  Sm  Sm7  1  0.250  0.133  0.935  1.0
  Ru  Ru8  1  0.250  0.687  0.883  1.0
  Ru  Ru9  1  0.750  0.313  0.117  1.0
  Ru  Ru10  1  0.750  0.813  0.383  1.0
  Ru  Ru11  1  0.250  0.187  0.617  1.0
  O  O12  1  0.250  0.990  0.097  1.0
  O  O13  1  0.750  0.010  0.903  1.0
  O  O14  1  0.750  0.510  0.597  1.0
  O  O15  1  0.250  0.490  0.403  1.0
  O  O16  1  0.250  0.721  0.046  1.0
  O  O17  1  0.750  0.279  0.954  1.0
  O  O18  1  0.750  0.779  0.546  1.0
  O  O19  1  0.250  0.221  0.454  1.0
  O  O20  1  0.250  0.771  0.728  1.0
  O  O21  1  0.750  0.229  0.272  1.0
  O  O22  1  0.750  0.729  0.228  1.0
  O  O23  1  0.250  0.271  0.772  1.0
  O  O24  1  0.250  0.529  0.803  1.0
  O  O25  1  0.750  0.471  0.197  1.0
  O  O26  1  0.750  0.971  0.303  1.0
  O  O27  1  0.250  0.029  0.697  1.0
  O  O28  1  0.250  0.763  0.386  1.0
  O  O29  1  0.750  0.237  0.614  1.0
  O  O30  1  0.750  0.737  0.886  1.0
  O  O31  1  0.250  0.263  0.114  1.0
[/CIF]
.
The material structure described by Sm2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted SmO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Sm(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form RuO5 trigonal bipyramids that share corners with three equivalent Sm(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Sm(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1) and three equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(5)Sm2Ru2 tetrahedra, corners with two equivalent O(1)Sm4 tetrahedra, corners with five equivalent O(2)Sm3Ru tetrahedra, corners with five equivalent O(3)Sm3Ru tetrahedra,  an edgeedge with one O(5)Sm2Ru2 tetrahedra,  an edgeedge with one O(2)Sm3Ru tetrahedra, and edges with two equivalent O(1)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), two equivalent Sm(2), and one Ru(1) atom to form OSm3Ru tetrahedra that share  a cornercorner with one O(5)Sm2Ru2 tetrahedra,  a cornercorner with one O(3)Sm3Ru tetrahedra, corners with two equivalent O(2)Sm3Ru tetrahedra, corners with five equivalent O(1)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(5)Sm2Ru2 tetrahedra, and edges with two equivalent O(3)Sm3Ru tetrahedra. In the third O site, O(3) is bonded to one Sm(2), two equivalent Sm(1), and one Ru(1) atom to form OSm3Ru tetrahedra that share  a cornercorner with one O(5)Sm2Ru2 tetrahedra,  a cornercorner with one O(2)Sm3Ru tetrahedra, corners with two equivalent O(3)Sm3Ru tetrahedra, corners with five equivalent O(1)Sm4 tetrahedra, edges with two equivalent O(5)Sm2Ru2 tetrahedra, and edges with two equivalent O(2)Sm3Ru tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ru(1) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), and two equivalent Ru(1) atoms to form distorted OSm2Ru2 tetrahedra that share  a cornercorner with one O(2)Sm3Ru tetrahedra,  a cornercorner with one O(3)Sm3Ru tetrahedra, corners with two equivalent O(5)Sm2Ru2 tetrahedra, corners with two equivalent O(1)Sm4 tetrahedra,  an edgeedge with one O(1)Sm4 tetrahedra, edges with two equivalent O(2)Sm3Ru tetrahedra, and edges with two equivalent O(3)Sm3Ru tetrahedra. is represented by the CIF card [CIF]
data_Sm2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.936
_cell_length_b   10.539
_cell_length_c   11.530
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   478.321
_cell_formula_units_Z   4
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  0.250  0.604  0.231  1.0
  Sm  Sm1  1  0.750  0.396  0.769  1.0
  Sm  Sm2  1  0.750  0.896  0.731  1.0
  Sm  Sm3  1  0.250  0.104  0.269  1.0
  Sm  Sm4  1  0.250  0.633  0.565  1.0
  Sm  Sm5  1  0.750  0.367  0.435  1.0
  Sm  Sm6  1  0.750  0.867  0.065  1.0
  Sm  Sm7  1  0.250  0.133  0.935  1.0
  Ru  Ru8  1  0.250  0.687  0.883  1.0
  Ru  Ru9  1  0.750  0.313  0.117  1.0
  Ru  Ru10  1  0.750  0.813  0.383  1.0
  Ru  Ru11  1  0.250  0.187  0.617  1.0
  O  O12  1  0.250  0.990  0.097  1.0
  O  O13  1  0.750  0.010  0.903  1.0
  O  O14  1  0.750  0.510  0.597  1.0
  O  O15  1  0.250  0.490  0.403  1.0
  O  O16  1  0.250  0.721  0.046  1.0
  O  O17  1  0.750  0.279  0.954  1.0
  O  O18  1  0.750  0.779  0.546  1.0
  O  O19  1  0.250  0.221  0.454  1.0
  O  O20  1  0.250  0.771  0.728  1.0
  O  O21  1  0.750  0.229  0.272  1.0
  O  O22  1  0.750  0.729  0.228  1.0
  O  O23  1  0.250  0.271  0.772  1.0
  O  O24  1  0.250  0.529  0.803  1.0
  O  O25  1  0.750  0.471  0.197  1.0
  O  O26  1  0.750  0.971  0.303  1.0
  O  O27  1  0.250  0.029  0.697  1.0
  O  O28  1  0.250  0.763  0.386  1.0
  O  O29  1  0.750  0.237  0.614  1.0
  O  O30  1  0.750  0.737  0.886  1.0
  O  O31  1  0.250  0.263  0.114  1.0
[/CIF]
.