The compound described by MgSm3Bi(Ru2O7)2 crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with three equivalent Bi(1)O8 hexagonal bipyramids, corners with nine equivalent Sm(1)O8 hexagonal bipyramids, and faces with three equivalent Ru(2)O6 octahedra. Sm(1) is bonded to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Sm(1)O8 hexagonal bipyramids, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(5) atoms. In the second Ru site, Ru(2) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Sm(1)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. Bi(1) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted BiO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with six equivalent Sm(1)O8 hexagonal bipyramids, and edges with six equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), one Ru(1), and one Ru(2) atom. In the third O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the fourth O site, O(1) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(2)Sm3Bi tetrahedra and edges with three equivalent O(3)Sm2Ru2 tetrahedra. In the fifth O site, O(2) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(1)Sm3Bi tetrahedra and corners with six equivalent O(3)Sm2Ru2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(1), one Ru(1), and one Ru(2) atom to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. is represented by the CIF file [CIF]
data_Sm3MgBi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.477
_cell_length_c   7.439
_cell_angle_alpha   89.998
_cell_angle_beta   59.835
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   293.306
_cell_formula_units_Z   1
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  0.377  0.373  1.0
  Sm  Sm1  1  0.250  0.873  0.373  1.0
  Sm  Sm2  1  0.754  0.377  0.373  1.0
  Mg  Mg3  1  0.999  0.999  0.002  1.0
  Bi  Bi4  1  0.753  0.376  0.871  1.0
  Ru  Ru5  1  0.730  0.865  0.405  1.0
  Ru  Ru6  1  0.268  0.866  0.865  1.0
  Ru  Ru7  1  0.268  0.402  0.865  1.0
  Ru  Ru8  1  0.733  0.866  0.865  1.0
  O  O9  1  0.494  0.247  0.258  1.0
  O  O10  1  0.003  0.501  0.495  1.0
  O  O11  1  0.904  0.952  0.548  1.0
  O  O12  1  0.500  0.548  0.548  1.0
  O  O13  1  0.500  0.952  0.548  1.0
  O  O14  1  0.100  0.550  0.951  1.0
  O  O15  1  0.499  0.949  0.951  1.0
  O  O16  1  0.499  0.550  0.951  1.0
  O  O17  1  0.574  0.787  0.213  1.0
  O  O18  1  0.999  0.212  0.213  1.0
  O  O19  1  0.999  0.787  0.213  1.0
  O  O20  1  0.420  0.210  0.789  1.0
  O  O21  1  0.001  0.791  0.789  1.0
  O  O22  1  0.001  0.210  0.789  1.0
[/CIF]
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The compound described by MgSm3Bi(Ru2O7)2 crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form distorted MgO6 octahedra that share corners with three equivalent Bi(1)O8 hexagonal bipyramids, corners with nine equivalent Sm(1)O8 hexagonal bipyramids, and faces with three equivalent Ru(2)O6 octahedra. Sm(1) is bonded to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted SmO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Sm(1)O8 hexagonal bipyramids, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(5) atoms. In the second Ru site, Ru(2) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted RuO6 octahedra that share corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Bi(1)O8 hexagonal bipyramids, edges with four equivalent Sm(1)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. Bi(1) is bonded to one O(1), one O(2), three equivalent O(4), and three equivalent O(6) atoms to form distorted BiO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with six equivalent Sm(1)O8 hexagonal bipyramids, and edges with six equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the second O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Sm(1), one Ru(1), and one Ru(2) atom. In the third O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Sm(1), two equivalent Ru(2), and one Bi(1) atom. In the fourth O site, O(1) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(2)Sm3Bi tetrahedra and edges with three equivalent O(3)Sm2Ru2 tetrahedra. In the fifth O site, O(2) is bonded to three equivalent Sm(1) and one Bi(1) atom to form OSm3Bi tetrahedra that share corners with four equivalent O(1)Sm3Bi tetrahedra and corners with six equivalent O(3)Sm2Ru2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(1), one Ru(1), and one Ru(2) atom to form distorted OSm2Ru2 tetrahedra that share corners with two equivalent O(2)Sm3Bi tetrahedra, corners with four equivalent O(3)Sm2Ru2 tetrahedra, and  an edgeedge with one O(1)Sm3Bi tetrahedra. is represented by the CIF file [CIF]
data_Sm3MgBi(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.476
_cell_length_b   7.477
_cell_length_c   7.439
_cell_angle_alpha   89.998
_cell_angle_beta   59.835
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   293.306
_cell_formula_units_Z   1
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  0.377  0.373  1.0
  Sm  Sm1  1  0.250  0.873  0.373  1.0
  Sm  Sm2  1  0.754  0.377  0.373  1.0
  Mg  Mg3  1  0.999  0.999  0.002  1.0
  Bi  Bi4  1  0.753  0.376  0.871  1.0
  Ru  Ru5  1  0.730  0.865  0.405  1.0
  Ru  Ru6  1  0.268  0.866  0.865  1.0
  Ru  Ru7  1  0.268  0.402  0.865  1.0
  Ru  Ru8  1  0.733  0.866  0.865  1.0
  O  O9  1  0.494  0.247  0.258  1.0
  O  O10  1  0.003  0.501  0.495  1.0
  O  O11  1  0.904  0.952  0.548  1.0
  O  O12  1  0.500  0.548  0.548  1.0
  O  O13  1  0.500  0.952  0.548  1.0
  O  O14  1  0.100  0.550  0.951  1.0
  O  O15  1  0.499  0.949  0.951  1.0
  O  O16  1  0.499  0.550  0.951  1.0
  O  O17  1  0.574  0.787  0.213  1.0
  O  O18  1  0.999  0.212  0.213  1.0
  O  O19  1  0.999  0.787  0.213  1.0
  O  O20  1  0.420  0.210  0.789  1.0
  O  O21  1  0.001  0.791  0.789  1.0
  O  O22  1  0.001  0.210  0.789  1.0
[/CIF]
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