The compound described by K3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent K(2) and four equivalent Tc(1) atoms. In the second K site, K(2) is bonded to eight equivalent K(1) and four equivalent Tc(1) atoms to form distorted KK8Tc4 cuboctahedra that share corners with four equivalent K(2)K8Tc4 cuboctahedra, corners with eight equivalent Tc(1)K12 cuboctahedra, edges with eight equivalent K(2)K8Tc4 cuboctahedra, faces with four equivalent K(2)K8Tc4 cuboctahedra, and faces with six equivalent Tc(1)K12 cuboctahedra. Tc(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form TcK12 cuboctahedra that share corners with four equivalent Tc(1)K12 cuboctahedra, corners with eight equivalent K(2)K8Tc4 cuboctahedra, edges with eight equivalent Tc(1)K12 cuboctahedra, faces with four equivalent Tc(1)K12 cuboctahedra, and faces with six equivalent K(2)K8Tc4 cuboctahedra. is represented by the CIF card [CIF]
data_K3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   6.803
_cell_length_c   6.803
_cell_angle_alpha   129.915
_cell_angle_beta   129.915
_cell_angle_gamma   73.543
_symmetry_Int_Tables_number   1
_cell_volume   180.766
_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
  K  K0  1  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Tc  Tc3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by K3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent K(2) and four equivalent Tc(1) atoms. In the second K site, K(2) is bonded to eight equivalent K(1) and four equivalent Tc(1) atoms to form distorted KK8Tc4 cuboctahedra that share corners with four equivalent K(2)K8Tc4 cuboctahedra, corners with eight equivalent Tc(1)K12 cuboctahedra, edges with eight equivalent K(2)K8Tc4 cuboctahedra, faces with four equivalent K(2)K8Tc4 cuboctahedra, and faces with six equivalent Tc(1)K12 cuboctahedra. Tc(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form TcK12 cuboctahedra that share corners with four equivalent Tc(1)K12 cuboctahedra, corners with eight equivalent K(2)K8Tc4 cuboctahedra, edges with eight equivalent Tc(1)K12 cuboctahedra, faces with four equivalent Tc(1)K12 cuboctahedra, and faces with six equivalent K(2)K8Tc4 cuboctahedra. is represented by the CIF card [CIF]
data_K3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.803
_cell_length_b   6.803
_cell_length_c   6.803
_cell_angle_alpha   129.915
_cell_angle_beta   129.915
_cell_angle_gamma   73.543
_symmetry_Int_Tables_number   1
_cell_volume   180.766
_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
  K  K0  1  0.750  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Tc  Tc3  1  0.000  0.000  0.000  1.0
[/CIF]
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