The crystal structure described by Sm3RuO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Sm(1)O7 pentagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, and edges with two equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Sm(1)O7 pentagonal bipyramids, and edges with four equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sm3RuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   7.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.591
_symmetry_Int_Tables_number   1
_cell_volume   294.081
_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  0.471  0.915  0.750  1.0
  Sm  Sm1  1  0.529  0.085  0.250  1.0
  Sm  Sm2  1  0.915  0.471  0.750  1.0
  Sm  Sm3  1  0.085  0.529  0.250  1.0
  Sm  Sm4  1  0.000  0.000  0.500  1.0
  Sm  Sm5  1  0.000  0.000  0.000  1.0
  Ru  Ru6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.585  0.585  0.750  1.0
  O  O9  1  0.415  0.415  0.250  1.0
  O  O10  1  0.841  0.104  0.750  1.0
  O  O11  1  0.159  0.896  0.250  1.0
  O  O12  1  0.104  0.841  0.750  1.0
  O  O13  1  0.896  0.159  0.250  1.0
  O  O14  1  0.440  0.187  0.959  1.0
  O  O15  1  0.560  0.813  0.459  1.0
  O  O16  1  0.187  0.440  0.959  1.0
  O  O17  1  0.813  0.560  0.459  1.0
  O  O18  1  0.440  0.187  0.541  1.0
  O  O19  1  0.560  0.813  0.041  1.0
  O  O20  1  0.813  0.560  0.041  1.0
  O  O21  1  0.187  0.440  0.541  1.0
[/CIF]
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The crystal structure described by Sm3RuO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted SmO7 pentagonal bipyramids that share corners with two equivalent Ru(1)O6 octahedra, corners with three equivalent Sm(1)O7 pentagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, and edges with two equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Sm(1)O7 pentagonal bipyramids, and edges with four equivalent Sm(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(2), two equivalent Sm(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sm3RuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   7.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.591
_symmetry_Int_Tables_number   1
_cell_volume   294.081
_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  0.471  0.915  0.750  1.0
  Sm  Sm1  1  0.529  0.085  0.250  1.0
  Sm  Sm2  1  0.915  0.471  0.750  1.0
  Sm  Sm3  1  0.085  0.529  0.250  1.0
  Sm  Sm4  1  0.000  0.000  0.500  1.0
  Sm  Sm5  1  0.000  0.000  0.000  1.0
  Ru  Ru6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.585  0.585  0.750  1.0
  O  O9  1  0.415  0.415  0.250  1.0
  O  O10  1  0.841  0.104  0.750  1.0
  O  O11  1  0.159  0.896  0.250  1.0
  O  O12  1  0.104  0.841  0.750  1.0
  O  O13  1  0.896  0.159  0.250  1.0
  O  O14  1  0.440  0.187  0.959  1.0
  O  O15  1  0.560  0.813  0.459  1.0
  O  O16  1  0.187  0.440  0.959  1.0
  O  O17  1  0.813  0.560  0.459  1.0
  O  O18  1  0.440  0.187  0.541  1.0
  O  O19  1  0.560  0.813  0.041  1.0
  O  O20  1  0.813  0.560  0.041  1.0
  O  O21  1  0.187  0.440  0.541  1.0
[/CIF]
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