The material structure described by Sm2ReO5 crystallizes in the tetragonal P4/n space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sm(1) and one Re(2) atom to form distorted OSm3Re tetrahedra that share  a cornercorner with one O(4)Sm4 tetrahedra, corners with three equivalent O(1)Sm3Re tetrahedra, corners with three equivalent O(3)Sm4 tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with three equivalent O(1)Sm3Re tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Re(1) atom. In the third O site, O(3) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with twelve equivalent O(1)Sm3Re tetrahedra and edges with two equivalent O(4)Sm4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(1)Sm3Re tetrahedra, edges with two equivalent O(3)Sm4 tetrahedra, and edges with four equivalent O(1)Sm3Re tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.649
_cell_length_b   8.649
_cell_length_c   5.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.950
_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  0.358  0.650  0.249  1.0
  Sm  Sm1  1  0.150  0.142  0.249  1.0
  Sm  Sm2  1  0.850  0.858  0.249  1.0
  Sm  Sm3  1  0.642  0.350  0.249  1.0
  Sm  Sm4  1  0.858  0.150  0.751  1.0
  Sm  Sm5  1  0.650  0.642  0.751  1.0
  Sm  Sm6  1  0.350  0.358  0.751  1.0
  Sm  Sm7  1  0.142  0.850  0.751  1.0
  Re  Re8  1  0.000  0.500  0.153  1.0
  Re  Re9  1  0.500  0.000  0.847  1.0
  Re  Re10  1  0.000  0.500  0.543  1.0
  Re  Re11  1  0.500  0.000  0.457  1.0
  O  O12  1  0.700  0.090  0.396  1.0
  O  O13  1  0.590  0.800  0.396  1.0
  O  O14  1  0.410  0.200  0.396  1.0
  O  O15  1  0.300  0.910  0.396  1.0
  O  O16  1  0.800  0.410  0.604  1.0
  O  O17  1  0.910  0.700  0.604  1.0
  O  O18  1  0.090  0.300  0.604  1.0
  O  O19  1  0.200  0.590  0.604  1.0
  O  O20  1  0.701  0.909  0.900  1.0
  O  O21  1  0.409  0.799  0.900  1.0
  O  O22  1  0.591  0.201  0.900  1.0
  O  O23  1  0.299  0.091  0.900  1.0
  O  O24  1  0.500  0.500  0.000  1.0
  O  O25  1  0.000  0.000  0.000  1.0
  O  O26  1  0.500  0.500  0.500  1.0
  O  O27  1  0.000  0.000  0.500  1.0
  O  O28  1  0.201  0.409  0.100  1.0
  O  O29  1  0.909  0.299  0.100  1.0
  O  O30  1  0.091  0.701  0.100  1.0
  O  O31  1  0.799  0.591  0.100  1.0
[/CIF]
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The material structure described by Sm2ReO5 crystallizes in the tetragonal P4/n space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the second Re site, Re(2) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sm(1) and one Re(2) atom to form distorted OSm3Re tetrahedra that share  a cornercorner with one O(4)Sm4 tetrahedra, corners with three equivalent O(1)Sm3Re tetrahedra, corners with three equivalent O(3)Sm4 tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with three equivalent O(1)Sm3Re tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Re(1) atom. In the third O site, O(3) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with twelve equivalent O(1)Sm3Re tetrahedra and edges with two equivalent O(4)Sm4 tetrahedra. In the fourth O site, O(4) is bonded to four equivalent Sm(1) atoms to form OSm4 tetrahedra that share corners with four equivalent O(1)Sm3Re tetrahedra, edges with two equivalent O(3)Sm4 tetrahedra, and edges with four equivalent O(1)Sm3Re tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2ReO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.649
_cell_length_b   8.649
_cell_length_c   5.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.950
_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  0.358  0.650  0.249  1.0
  Sm  Sm1  1  0.150  0.142  0.249  1.0
  Sm  Sm2  1  0.850  0.858  0.249  1.0
  Sm  Sm3  1  0.642  0.350  0.249  1.0
  Sm  Sm4  1  0.858  0.150  0.751  1.0
  Sm  Sm5  1  0.650  0.642  0.751  1.0
  Sm  Sm6  1  0.350  0.358  0.751  1.0
  Sm  Sm7  1  0.142  0.850  0.751  1.0
  Re  Re8  1  0.000  0.500  0.153  1.0
  Re  Re9  1  0.500  0.000  0.847  1.0
  Re  Re10  1  0.000  0.500  0.543  1.0
  Re  Re11  1  0.500  0.000  0.457  1.0
  O  O12  1  0.700  0.090  0.396  1.0
  O  O13  1  0.590  0.800  0.396  1.0
  O  O14  1  0.410  0.200  0.396  1.0
  O  O15  1  0.300  0.910  0.396  1.0
  O  O16  1  0.800  0.410  0.604  1.0
  O  O17  1  0.910  0.700  0.604  1.0
  O  O18  1  0.090  0.300  0.604  1.0
  O  O19  1  0.200  0.590  0.604  1.0
  O  O20  1  0.701  0.909  0.900  1.0
  O  O21  1  0.409  0.799  0.900  1.0
  O  O22  1  0.591  0.201  0.900  1.0
  O  O23  1  0.299  0.091  0.900  1.0
  O  O24  1  0.500  0.500  0.000  1.0
  O  O25  1  0.000  0.000  0.000  1.0
  O  O26  1  0.500  0.500  0.500  1.0
  O  O27  1  0.000  0.000  0.500  1.0
  O  O28  1  0.201  0.409  0.100  1.0
  O  O29  1  0.909  0.299  0.100  1.0
  O  O30  1  0.091  0.701  0.100  1.0
  O  O31  1  0.799  0.591  0.100  1.0
[/CIF]
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