The material described by Sm3IrO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Sm site, Sm(2) 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 Ir(1)O6 octahedra, corners with three equivalent Sm(2)O7 pentagonal bipyramids, edges with two equivalent Ir(1)O6 octahedra, and edges with two equivalent Sm(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Sm(2)O7 pentagonal bipyramids, and edges with four equivalent Sm(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(2) and two equivalent Ir(1) atoms to form distorted OSm2Ir2 trigonal pyramids that share corners with four equivalent O(2)Sm4 tetrahedra and corners with two equivalent O(1)Sm2Ir2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with six equivalent O(2)Sm4 tetrahedra, corners with two equivalent O(1)Sm2Ir2 trigonal pyramids, and  an edgeedge with one O(2)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.532
_cell_length_c   7.466
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   111.329
_symmetry_Int_Tables_number   1
_cell_volume   296.780
_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  0.000  0.000  1.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Sm  Sm2  1  0.476  0.921  0.750  1.0
  Sm  Sm3  1  0.524  0.079  0.250  1.0
  Sm  Sm4  1  0.921  0.476  0.750  1.0
  Sm  Sm5  1  0.079  0.524  0.250  1.0
  Ir  Ir6  1  0.500  0.500  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.595  0.595  0.750  1.0
  O  O9  1  0.405  0.405  0.250  1.0
  O  O10  1  0.844  0.108  0.750  1.0
  O  O11  1  0.156  0.892  0.250  1.0
  O  O12  1  0.108  0.844  0.750  1.0
  O  O13  1  0.892  0.156  0.250  1.0
  O  O14  1  0.441  0.185  0.960  1.0
  O  O15  1  0.559  0.815  0.460  1.0
  O  O16  1  0.185  0.441  0.960  1.0
  O  O17  1  0.815  0.559  0.460  1.0
  O  O18  1  0.441  0.185  0.540  1.0
  O  O19  1  0.559  0.815  0.040  1.0
  O  O20  1  0.815  0.559  0.040  1.0
  O  O21  1  0.185  0.441  0.540  1.0
[/CIF]
.
The material described by Sm3IrO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Sm site, Sm(2) 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 Ir(1)O6 octahedra, corners with three equivalent Sm(2)O7 pentagonal bipyramids, edges with two equivalent Ir(1)O6 octahedra, and edges with two equivalent Sm(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Ir(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form IrO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Sm(2)O7 pentagonal bipyramids, and edges with four equivalent Sm(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(2) and two equivalent Ir(1) atoms to form distorted OSm2Ir2 trigonal pyramids that share corners with four equivalent O(2)Sm4 tetrahedra and corners with two equivalent O(1)Sm2Ir2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with six equivalent O(2)Sm4 tetrahedra, corners with two equivalent O(1)Sm2Ir2 trigonal pyramids, and  an edgeedge with one O(2)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(2), and one Ir(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm3IrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.532
_cell_length_b   6.532
_cell_length_c   7.466
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   111.329
_symmetry_Int_Tables_number   1
_cell_volume   296.780
_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  0.000  0.000  1.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Sm  Sm2  1  0.476  0.921  0.750  1.0
  Sm  Sm3  1  0.524  0.079  0.250  1.0
  Sm  Sm4  1  0.921  0.476  0.750  1.0
  Sm  Sm5  1  0.079  0.524  0.250  1.0
  Ir  Ir6  1  0.500  0.500  0.000  1.0
  Ir  Ir7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.595  0.595  0.750  1.0
  O  O9  1  0.405  0.405  0.250  1.0
  O  O10  1  0.844  0.108  0.750  1.0
  O  O11  1  0.156  0.892  0.250  1.0
  O  O12  1  0.108  0.844  0.750  1.0
  O  O13  1  0.892  0.156  0.250  1.0
  O  O14  1  0.441  0.185  0.960  1.0
  O  O15  1  0.559  0.815  0.460  1.0
  O  O16  1  0.185  0.441  0.960  1.0
  O  O17  1  0.815  0.559  0.460  1.0
  O  O18  1  0.441  0.185  0.540  1.0
  O  O19  1  0.559  0.815  0.040  1.0
  O  O20  1  0.815  0.559  0.040  1.0
  O  O21  1  0.185  0.441  0.540  1.0
[/CIF]
.