The material structure described by BaTcO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Tc(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Tc(2)O6 octahedra, and faces with four equivalent Tc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tc(2)O6 octahedra, and faces with six equivalent Tc(1)O6 octahedra. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TcO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Tc(2)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Tc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Tc site, Tc(2) is bonded to six equivalent O(1) atoms to form TcO6 octahedra that share corners with six equivalent Tc(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Tc(1), and one Tc(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Tc(1) atoms to form a mixture of distorted face and corner-sharing OBa4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. is represented by the CIF file [CIF]
data_BaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   5.799
_cell_length_c   13.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   406.284
_cell_formula_units_Z   6
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
  Ba  Ba0  1  0.667  0.333  0.591  1.0
  Ba  Ba1  1  0.333  0.667  0.409  1.0
  Ba  Ba2  1  0.667  0.333  0.909  1.0
  Ba  Ba3  1  0.000  1.000  0.250  1.0
  Ba  Ba4  1  0.333  0.667  0.091  1.0
  Ba  Ba5  1  1.000  0.000  0.750  1.0
  Tc  Tc6  1  0.333  0.667  0.662  1.0
  Tc  Tc7  1  0.667  0.333  0.162  1.0
  Tc  Tc8  1  0.333  0.667  0.838  1.0
  Tc  Tc9  1  0.667  0.333  0.338  1.0
  Tc  Tc10  1  0.000  0.000  0.500  1.0
  Tc  Tc11  1  1.000  1.000  0.000  1.0
  O  O12  1  0.834  0.166  0.418  1.0
  O  O13  1  0.834  0.669  0.082  1.0
  O  O14  1  0.669  0.834  0.582  1.0
  O  O15  1  0.834  0.166  0.082  1.0
  O  O16  1  0.166  0.331  0.918  1.0
  O  O17  1  0.834  0.669  0.418  1.0
  O  O18  1  0.507  0.493  0.250  1.0
  O  O19  1  0.331  0.166  0.418  1.0
  O  O20  1  0.166  0.834  0.918  1.0
  O  O21  1  0.507  0.015  0.250  1.0
  O  O22  1  0.166  0.834  0.582  1.0
  O  O23  1  0.493  0.985  0.750  1.0
  O  O24  1  0.015  0.507  0.750  1.0
  O  O25  1  0.493  0.507  0.750  1.0
  O  O26  1  0.166  0.331  0.582  1.0
  O  O27  1  0.669  0.834  0.918  1.0
  O  O28  1  0.985  0.493  0.250  1.0
  O  O29  1  0.331  0.166  0.082  1.0
[/CIF]
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The material structure described by BaTcO3 is (Cubic) Perovskite-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Tc(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Tc(2)O6 octahedra, and faces with four equivalent Tc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Tc(2)O6 octahedra, and faces with six equivalent Tc(1)O6 octahedra. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TcO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Tc(2)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Tc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Tc site, Tc(2) is bonded to six equivalent O(1) atoms to form TcO6 octahedra that share corners with six equivalent Tc(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Tc(1), and one Tc(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Tc(1) atoms to form a mixture of distorted face and corner-sharing OBa4Tc2 octahedra. The corner-sharing octahedral tilt angles range from 3-60°. is represented by the CIF file [CIF]
data_BaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.799
_cell_length_b   5.799
_cell_length_c   13.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   406.284
_cell_formula_units_Z   6
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
  Ba  Ba0  1  0.667  0.333  0.591  1.0
  Ba  Ba1  1  0.333  0.667  0.409  1.0
  Ba  Ba2  1  0.667  0.333  0.909  1.0
  Ba  Ba3  1  0.000  1.000  0.250  1.0
  Ba  Ba4  1  0.333  0.667  0.091  1.0
  Ba  Ba5  1  1.000  0.000  0.750  1.0
  Tc  Tc6  1  0.333  0.667  0.662  1.0
  Tc  Tc7  1  0.667  0.333  0.162  1.0
  Tc  Tc8  1  0.333  0.667  0.838  1.0
  Tc  Tc9  1  0.667  0.333  0.338  1.0
  Tc  Tc10  1  0.000  0.000  0.500  1.0
  Tc  Tc11  1  1.000  1.000  0.000  1.0
  O  O12  1  0.834  0.166  0.418  1.0
  O  O13  1  0.834  0.669  0.082  1.0
  O  O14  1  0.669  0.834  0.582  1.0
  O  O15  1  0.834  0.166  0.082  1.0
  O  O16  1  0.166  0.331  0.918  1.0
  O  O17  1  0.834  0.669  0.418  1.0
  O  O18  1  0.507  0.493  0.250  1.0
  O  O19  1  0.331  0.166  0.418  1.0
  O  O20  1  0.166  0.834  0.918  1.0
  O  O21  1  0.507  0.015  0.250  1.0
  O  O22  1  0.166  0.834  0.582  1.0
  O  O23  1  0.493  0.985  0.750  1.0
  O  O24  1  0.015  0.507  0.750  1.0
  O  O25  1  0.493  0.507  0.750  1.0
  O  O26  1  0.166  0.331  0.582  1.0
  O  O27  1  0.669  0.834  0.918  1.0
  O  O28  1  0.985  0.493  0.250  1.0
  O  O29  1  0.331  0.166  0.082  1.0
[/CIF]
.