The crystal structure described by CaTcO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Tc(1) is bonded to six equivalent O(1) atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Tc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   5.499
_cell_length_c   5.499
_cell_angle_alpha   60.725
_cell_angle_beta   60.725
_cell_angle_gamma   60.725
_symmetry_Int_Tables_number   1
_cell_volume   119.528
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.735  0.735  0.735  1.0
  Ca  Ca1  1  0.235  0.235  0.235  1.0
  Tc  Tc2  1  0.995  0.995  0.995  1.0
  Tc  Tc3  1  0.495  0.495  0.495  1.0
  O  O4  1  0.328  0.750  0.164  1.0
  O  O5  1  0.750  0.164  0.328  1.0
  O  O6  1  0.164  0.328  0.750  1.0
  O  O7  1  0.250  0.828  0.664  1.0
  O  O8  1  0.664  0.250  0.828  1.0
  O  O9  1  0.828  0.664  0.250  1.0
[/CIF]
.
The crystal structure described by CaTcO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. Ca(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Tc(1) is bonded to six equivalent O(1) atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 26°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Tc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.499
_cell_length_b   5.499
_cell_length_c   5.499
_cell_angle_alpha   60.725
_cell_angle_beta   60.725
_cell_angle_gamma   60.725
_symmetry_Int_Tables_number   1
_cell_volume   119.528
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.735  0.735  0.735  1.0
  Ca  Ca1  1  0.235  0.235  0.235  1.0
  Tc  Tc2  1  0.995  0.995  0.995  1.0
  Tc  Tc3  1  0.495  0.495  0.495  1.0
  O  O4  1  0.328  0.750  0.164  1.0
  O  O5  1  0.750  0.164  0.328  1.0
  O  O6  1  0.164  0.328  0.750  1.0
  O  O7  1  0.250  0.828  0.664  1.0
  O  O8  1  0.664  0.250  0.828  1.0
  O  O9  1  0.828  0.664  0.250  1.0
[/CIF]
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