The material described by Sm2Au2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(2)O12 cuboctahedra, faces with four equivalent Sm(2)O12 cuboctahedra, and faces with eight equivalent Au(1)O5 square pyramids. Au(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted AuO5 square pyramids that share corners with five equivalent Au(1)O5 square pyramids and faces with four equivalent Sm(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Au(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSm4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Sm(2) and two equivalent Au(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSm4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Au2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.211
_cell_length_b   4.211
_cell_length_c   7.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.724
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.500  0.500  0.192  1.0
  Au  Au3  1  0.500  0.500  0.808  1.0
  O  O4  1  0.500  0.000  0.227  1.0
  O  O5  1  0.500  0.000  0.773  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.227  1.0
  O  O8  1  0.000  0.500  0.773  1.0
[/CIF]
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The material described by Sm2Au2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Sm site, Sm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SmO12 cuboctahedra that share corners with four equivalent Sm(2)O12 cuboctahedra, faces with four equivalent Sm(2)O12 cuboctahedra, and faces with eight equivalent Au(1)O5 square pyramids. Au(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted AuO5 square pyramids that share corners with five equivalent Au(1)O5 square pyramids and faces with four equivalent Sm(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Au(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSm4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Sm(2) and two equivalent Au(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSm4Au2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Au2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.211
_cell_length_b   4.211
_cell_length_c   7.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.724
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Au  Au2  1  0.500  0.500  0.192  1.0
  Au  Au3  1  0.500  0.500  0.808  1.0
  O  O4  1  0.500  0.000  0.227  1.0
  O  O5  1  0.500  0.000  0.773  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.227  1.0
  O  O8  1  0.000  0.500  0.773  1.0
[/CIF]
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