The crystal structure described by LiCd4(TcO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Cd(2), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(8) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. In the second Tc site, Tc(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third Tc site, Tc(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. In the fourth Tc site, Tc(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the third Cd site, Cd(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Cd site, Cd(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(4), one Cd(1), one Cd(2), and one Cd(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Tc(2), one Tc(3), one Cd(1), one Cd(2), and one Cd(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(3), and one Cd(4) atom. In the fourth O site, O(4) is bonded to one Tc(1), one Tc(4), one Cd(3), and one Cd(4) atom to form a mixture of distorted edge and corner-sharing OCd2Tc2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(4), one Cd(2), one Cd(3), and one Cd(4) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(1), and one Cd(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(1), and one Cd(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(4), one Cd(1), one Cd(2), and one Cd(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Tc(2), one Tc(4), one Cd(1), and one Cd(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Tc(1), one Tc(3), one Cd(1), and one Cd(2) atom. In the eleventh O site, O(11) is bonded to one Tc(2), one Tc(4), one Cd(3), and one Cd(4) atom to form distorted corner-sharing OCd2Tc2 tetrahedra. In the twelfth O site, O(12) is bonded to one Tc(1), one Tc(3), one Cd(3), and one Cd(4) atom to form a mixture of distorted edge and corner-sharing OCd2Tc2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCd4(TcO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.609
_cell_length_c   7.944
_cell_angle_alpha   91.116
_cell_angle_beta   87.955
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   245.927
_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
  Li  Li0  1  0.128  0.899  0.435  1.0
  Cd  Cd1  1  0.510  0.550  0.260  1.0
  Cd  Cd2  1  0.969  0.081  0.202  1.0
  Cd  Cd3  1  0.490  0.454  0.753  1.0
  Cd  Cd4  1  0.010  0.950  0.766  1.0
  Tc  Tc5  1  0.995  0.509  0.999  1.0
  Tc  Tc6  1  0.527  0.998  0.507  1.0
  Tc  Tc7  1  0.004  0.478  0.503  1.0
  Tc  Tc8  1  0.490  0.003  0.002  1.0
  O  O9  1  0.788  0.802  0.055  1.0
  O  O10  1  0.711  0.289  0.449  1.0
  O  O11  1  0.206  0.185  0.562  1.0
  O  O12  1  0.291  0.710  0.939  1.0
  O  O13  1  0.194  0.205  0.945  1.0
  O  O14  1  0.314  0.687  0.553  1.0
  O  O15  1  0.814  0.785  0.443  1.0
  O  O16  1  0.686  0.309  0.057  1.0
  O  O17  1  0.384  0.963  0.257  1.0
  O  O18  1  0.108  0.465  0.247  1.0
  O  O19  1  0.610  0.038  0.754  1.0
  O  O20  1  0.895  0.538  0.753  1.0
[/CIF]
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The crystal structure described by LiCd4(TcO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Cd(2), one O(3), one O(6), one O(7), and one O(9) atom. There are four inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one O(1), one O(10), one O(12), one O(4), one O(5), and one O(8) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 32-35°. In the second Tc site, Tc(2) is bonded to one O(11), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third Tc site, Tc(3) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 30-36°. In the fourth Tc site, Tc(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to one Li(1), one O(1), one O(10), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the third Cd site, Cd(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Cd site, Cd(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(4), one Cd(1), one Cd(2), and one Cd(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Tc(2), one Tc(3), one Cd(1), one Cd(2), and one Cd(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(3), and one Cd(4) atom. In the fourth O site, O(4) is bonded to one Tc(1), one Tc(4), one Cd(3), and one Cd(4) atom to form a mixture of distorted edge and corner-sharing OCd2Tc2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Tc(1), one Tc(4), one Cd(2), one Cd(3), and one Cd(4) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(1), and one Cd(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Tc(2), one Tc(3), one Cd(1), and one Cd(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Tc(1), one Tc(4), one Cd(1), one Cd(2), and one Cd(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Tc(2), one Tc(4), one Cd(1), and one Cd(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Tc(1), one Tc(3), one Cd(1), and one Cd(2) atom. In the eleventh O site, O(11) is bonded to one Tc(2), one Tc(4), one Cd(3), and one Cd(4) atom to form distorted corner-sharing OCd2Tc2 tetrahedra. In the twelfth O site, O(12) is bonded to one Tc(1), one Tc(3), one Cd(3), and one Cd(4) atom to form a mixture of distorted edge and corner-sharing OCd2Tc2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCd4(TcO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.609
_cell_length_c   7.944
_cell_angle_alpha   91.116
_cell_angle_beta   87.955
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   245.927
_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
  Li  Li0  1  0.128  0.899  0.435  1.0
  Cd  Cd1  1  0.510  0.550  0.260  1.0
  Cd  Cd2  1  0.969  0.081  0.202  1.0
  Cd  Cd3  1  0.490  0.454  0.753  1.0
  Cd  Cd4  1  0.010  0.950  0.766  1.0
  Tc  Tc5  1  0.995  0.509  0.999  1.0
  Tc  Tc6  1  0.527  0.998  0.507  1.0
  Tc  Tc7  1  0.004  0.478  0.503  1.0
  Tc  Tc8  1  0.490  0.003  0.002  1.0
  O  O9  1  0.788  0.802  0.055  1.0
  O  O10  1  0.711  0.289  0.449  1.0
  O  O11  1  0.206  0.185  0.562  1.0
  O  O12  1  0.291  0.710  0.939  1.0
  O  O13  1  0.194  0.205  0.945  1.0
  O  O14  1  0.314  0.687  0.553  1.0
  O  O15  1  0.814  0.785  0.443  1.0
  O  O16  1  0.686  0.309  0.057  1.0
  O  O17  1  0.384  0.963  0.257  1.0
  O  O18  1  0.108  0.465  0.247  1.0
  O  O19  1  0.610  0.038  0.754  1.0
  O  O20  1  0.895  0.538  0.753  1.0
[/CIF]
.