The material structure described by Cs2Tc2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with four equivalent Cs(2)O12 cuboctahedra, faces with four equivalent Cs(2)O12 cuboctahedra, and faces with eight equivalent Tc(1)O5 square pyramids. Tc(1) is bonded to one O(2) and four equivalent O(1) atoms to form TcO5 square pyramids that share corners with five equivalent Tc(1)O5 square pyramids and faces with four equivalent Cs(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Tc(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(2) and two equivalent Tc(1) atoms to form a mixture of edge and corner-sharing OCs4Tc2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cs2Tc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.940
_cell_length_b   3.940
_cell_length_c   9.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.543
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.500  1.0
  Tc  Tc2  1  0.500  0.500  0.282  1.0
  Tc  Tc3  1  0.500  0.500  0.718  1.0
  O  O4  1  0.500  0.000  0.260  1.0
  O  O5  1  0.500  0.000  0.740  1.0
  O  O6  1  0.000  0.500  0.260  1.0
  O  O7  1  0.000  0.500  0.740  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Cs2Tc2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with four equivalent Cs(2)O12 cuboctahedra, faces with four equivalent Cs(2)O12 cuboctahedra, and faces with eight equivalent Tc(1)O5 square pyramids. Tc(1) is bonded to one O(2) and four equivalent O(1) atoms to form TcO5 square pyramids that share corners with five equivalent Tc(1)O5 square pyramids and faces with four equivalent Cs(2)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Cs(2), and two equivalent Tc(1) atoms. In the second O site, O(2) is bonded to four equivalent Cs(2) and two equivalent Tc(1) atoms to form a mixture of edge and corner-sharing OCs4Tc2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Cs2Tc2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.940
_cell_length_b   3.940
_cell_length_c   9.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.543
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  Cs  Cs1  1  0.000  0.000  0.500  1.0
  Tc  Tc2  1  0.500  0.500  0.282  1.0
  Tc  Tc3  1  0.500  0.500  0.718  1.0
  O  O4  1  0.500  0.000  0.260  1.0
  O  O5  1  0.500  0.000  0.740  1.0
  O  O6  1  0.000  0.500  0.260  1.0
  O  O7  1  0.000  0.500  0.740  1.0
  O  O8  1  0.500  0.500  0.500  1.0
[/CIF]
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