The crystal structure described by Sm3Re2O9 crystallizes in the triclinic P-1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(3), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(7) atoms to form edge-sharing ReO6 octahedra. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to one O(3), one O(5), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(3), and one Re(1) atom. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sm(3) and one Re(1) atom. In the fifth O site, O(5) is bonded to one Sm(1), two equivalent Sm(2), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(3), and two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the ninth O site, O(9) is bonded to one Sm(1), two equivalent Sm(2), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. is represented by the CIF file [CIF]
data_Sm3Re2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   6.825
_cell_length_c   10.876
_cell_angle_alpha   76.751
_cell_angle_beta   75.468
_cell_angle_gamma   68.550
_symmetry_Int_Tables_number   1
_cell_volume   364.906
_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  0.012  0.211  0.269  1.0
  Sm  Sm1  1  0.988  0.789  0.731  1.0
  Sm  Sm2  1  0.231  0.155  0.884  1.0
  Sm  Sm3  1  0.769  0.845  0.116  1.0
  Sm  Sm4  1  0.299  0.605  0.370  1.0
  Sm  Sm5  1  0.701  0.395  0.630  1.0
  Re  Re6  1  0.346  0.126  0.568  1.0
  Re  Re7  1  0.654  0.874  0.432  1.0
  Re  Re8  1  0.519  0.387  0.093  1.0
  Re  Re9  1  0.481  0.613  0.907  1.0
  O  O10  1  0.058  0.115  0.721  1.0
  O  O11  1  0.942  0.885  0.279  1.0
  O  O12  1  0.070  0.205  0.475  1.0
  O  O13  1  0.930  0.795  0.525  1.0
  O  O14  1  0.185  0.496  0.201  1.0
  O  O15  1  0.815  0.504  0.799  1.0
  O  O16  1  0.286  0.422  0.578  1.0
  O  O17  1  0.714  0.578  0.422  1.0
  O  O18  1  0.394  0.167  0.073  1.0
  O  O19  1  0.606  0.833  0.927  1.0
  O  O20  1  0.586  0.076  0.688  1.0
  O  O21  1  0.414  0.924  0.312  1.0
  O  O22  1  0.593  0.193  0.402  1.0
  O  O23  1  0.407  0.807  0.598  1.0
  O  O24  1  0.658  0.527  0.182  1.0
  O  O25  1  0.342  0.473  0.818  1.0
  O  O26  1  0.872  0.187  0.061  1.0
  O  O27  1  0.128  0.813  0.939  1.0
[/CIF]
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The crystal structure described by Sm3Re2O9 crystallizes in the triclinic P-1 space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Sm site, Sm(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(3), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(7) atoms to form edge-sharing ReO6 octahedra. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to one O(3), one O(5), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sm(1), one Sm(3), and one Re(1) atom. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sm(3) and one Re(1) atom. In the fifth O site, O(5) is bonded to one Sm(1), two equivalent Sm(2), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(1) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(3), and two equivalent Re(1) atoms. In the eighth O site, O(8) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. In the ninth O site, O(9) is bonded to one Sm(1), two equivalent Sm(2), and one Re(2) atom to form a mixture of distorted edge and corner-sharing OSm3Re tetrahedra. is represented by the CIF file [CIF]
data_Sm3Re2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.521
_cell_length_b   6.825
_cell_length_c   10.876
_cell_angle_alpha   76.751
_cell_angle_beta   75.468
_cell_angle_gamma   68.550
_symmetry_Int_Tables_number   1
_cell_volume   364.906
_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  0.012  0.211  0.269  1.0
  Sm  Sm1  1  0.988  0.789  0.731  1.0
  Sm  Sm2  1  0.231  0.155  0.884  1.0
  Sm  Sm3  1  0.769  0.845  0.116  1.0
  Sm  Sm4  1  0.299  0.605  0.370  1.0
  Sm  Sm5  1  0.701  0.395  0.630  1.0
  Re  Re6  1  0.346  0.126  0.568  1.0
  Re  Re7  1  0.654  0.874  0.432  1.0
  Re  Re8  1  0.519  0.387  0.093  1.0
  Re  Re9  1  0.481  0.613  0.907  1.0
  O  O10  1  0.058  0.115  0.721  1.0
  O  O11  1  0.942  0.885  0.279  1.0
  O  O12  1  0.070  0.205  0.475  1.0
  O  O13  1  0.930  0.795  0.525  1.0
  O  O14  1  0.185  0.496  0.201  1.0
  O  O15  1  0.815  0.504  0.799  1.0
  O  O16  1  0.286  0.422  0.578  1.0
  O  O17  1  0.714  0.578  0.422  1.0
  O  O18  1  0.394  0.167  0.073  1.0
  O  O19  1  0.606  0.833  0.927  1.0
  O  O20  1  0.586  0.076  0.688  1.0
  O  O21  1  0.414  0.924  0.312  1.0
  O  O22  1  0.593  0.193  0.402  1.0
  O  O23  1  0.407  0.807  0.598  1.0
  O  O24  1  0.658  0.527  0.182  1.0
  O  O25  1  0.342  0.473  0.818  1.0
  O  O26  1  0.872  0.187  0.061  1.0
  O  O27  1  0.128  0.813  0.939  1.0
[/CIF]
.