The compound described by Li2TcO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Tc(1)O6 octahedra, corners with two equivalent Tc(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Tc(1)O6 octahedra, edges with two equivalent Tc(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Tc(1)O6 octahedra, edges with three equivalent Tc(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Tc(1)O6 octahedra, corners with two equivalent Tc(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Tc(1)O6 octahedra, edges with two equivalent Tc(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TcO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Tc(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Tc site, Tc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TcO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Tc(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2TcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   4.935
_cell_length_c   9.929
_cell_angle_alpha   84.910
_cell_angle_beta   84.910
_cell_angle_gamma   117.385
_symmetry_Int_Tables_number   1
_cell_volume   211.532
_cell_formula_units_Z   4
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  0.650  0.812  0.504  1.0
  Li  Li1  1  0.350  0.188  0.496  1.0
  Li  Li2  1  0.188  0.350  0.996  1.0
  Li  Li3  1  0.812  0.650  0.004  1.0
  Li  Li4  1  0.583  0.417  0.750  1.0
  Li  Li5  1  0.417  0.583  0.250  1.0
  Li  Li6  1  0.500  0.000  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  Tc  Tc8  1  0.233  0.767  0.750  1.0
  Tc  Tc9  1  0.767  0.233  0.250  1.0
  Tc  Tc10  1  0.932  0.068  0.750  1.0
  Tc  Tc11  1  0.068  0.932  0.250  1.0
  O  O12  1  0.792  0.958  0.120  1.0
  O  O13  1  0.208  0.042  0.880  1.0
  O  O14  1  0.042  0.208  0.380  1.0
  O  O15  1  0.958  0.792  0.620  1.0
  O  O16  1  0.546  0.724  0.864  1.0
  O  O17  1  0.454  0.276  0.136  1.0
  O  O18  1  0.276  0.454  0.636  1.0
  O  O19  1  0.724  0.546  0.364  1.0
  O  O20  1  0.619  0.108  0.637  1.0
  O  O21  1  0.381  0.892  0.363  1.0
  O  O22  1  0.892  0.381  0.863  1.0
  O  O23  1  0.108  0.619  0.137  1.0
[/CIF]
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The compound described by Li2TcO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Tc(1)O6 octahedra, corners with two equivalent Tc(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Tc(1)O6 octahedra, edges with two equivalent Tc(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Tc(1)O6 octahedra, edges with three equivalent Tc(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Tc(1)O6 octahedra, corners with two equivalent Tc(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Tc(1)O6 octahedra, edges with two equivalent Tc(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TcO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Tc(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Tc site, Tc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TcO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Tc(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Tc(1), and one Tc(2) atom to form a mixture of corner and edge-sharing OLi4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Li2TcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   4.935
_cell_length_c   9.929
_cell_angle_alpha   84.910
_cell_angle_beta   84.910
_cell_angle_gamma   117.385
_symmetry_Int_Tables_number   1
_cell_volume   211.532
_cell_formula_units_Z   4
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  0.650  0.812  0.504  1.0
  Li  Li1  1  0.350  0.188  0.496  1.0
  Li  Li2  1  0.188  0.350  0.996  1.0
  Li  Li3  1  0.812  0.650  0.004  1.0
  Li  Li4  1  0.583  0.417  0.750  1.0
  Li  Li5  1  0.417  0.583  0.250  1.0
  Li  Li6  1  0.500  0.000  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  Tc  Tc8  1  0.233  0.767  0.750  1.0
  Tc  Tc9  1  0.767  0.233  0.250  1.0
  Tc  Tc10  1  0.932  0.068  0.750  1.0
  Tc  Tc11  1  0.068  0.932  0.250  1.0
  O  O12  1  0.792  0.958  0.120  1.0
  O  O13  1  0.208  0.042  0.880  1.0
  O  O14  1  0.042  0.208  0.380  1.0
  O  O15  1  0.958  0.792  0.620  1.0
  O  O16  1  0.546  0.724  0.864  1.0
  O  O17  1  0.454  0.276  0.136  1.0
  O  O18  1  0.276  0.454  0.636  1.0
  O  O19  1  0.724  0.546  0.364  1.0
  O  O20  1  0.619  0.108  0.637  1.0
  O  O21  1  0.381  0.892  0.363  1.0
  O  O22  1  0.892  0.381  0.863  1.0
  O  O23  1  0.108  0.619  0.137  1.0
[/CIF]
.