The compound described by Tm2Pd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Tm site, Tm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form TmO12 cuboctahedra that share corners with four equivalent Tm(2)O12 cuboctahedra, faces with four equivalent Tm(2)O12 cuboctahedra, and faces with eight equivalent Pd(1)O5 square pyramids. Pd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted PdO5 square pyramids that share corners with five equivalent Pd(1)O5 square pyramids and faces with four equivalent Tm(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), two equivalent Tm(2), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Tm(2) and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Tm2Pd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   4.020
_cell_length_c   6.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.335
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.190  1.0
  Pd  Pd3  1  0.500  0.500  0.810  1.0
  O  O4  1  0.500  0.000  0.224  1.0
  O  O5  1  0.500  0.000  0.776  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.224  1.0
  O  O8  1  0.000  0.500  0.776  1.0
[/CIF]
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The compound described by Tm2Pd2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Tm site, Tm(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form TmO12 cuboctahedra that share corners with four equivalent Tm(2)O12 cuboctahedra, faces with four equivalent Tm(2)O12 cuboctahedra, and faces with eight equivalent Pd(1)O5 square pyramids. Pd(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted PdO5 square pyramids that share corners with five equivalent Pd(1)O5 square pyramids and faces with four equivalent Tm(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1), two equivalent Tm(2), and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to four equivalent Tm(2) and two equivalent Pd(1) atoms to form a mixture of distorted face, corner, and edge-sharing OTm4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_Tm2Pd2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   4.020
_cell_length_c   6.889
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   111.335
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Pd  Pd2  1  0.500  0.500  0.190  1.0
  Pd  Pd3  1  0.500  0.500  0.810  1.0
  O  O4  1  0.500  0.000  0.224  1.0
  O  O5  1  0.500  0.000  0.776  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.000  0.500  0.224  1.0
  O  O8  1  0.000  0.500  0.776  1.0
[/CIF]
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