The material structure described by BaPrCoTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), one Ta(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_BaPrTaCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.829
_cell_length_b   5.754
_cell_length_c   9.900
_cell_angle_alpha   54.641
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.797
_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
  Ba  Ba0  1  0.761  0.749  0.750  1.0
  Ba  Ba1  1  0.239  0.749  0.250  1.0
  Pr  Pr2  1  0.701  0.270  0.247  1.0
  Pr  Pr3  1  0.299  0.270  0.747  1.0
  Ta  Ta4  1  0.758  0.999  0.000  1.0
  Ta  Ta5  1  0.242  0.999  0.500  1.0
  Co  Co6  1  0.754  0.502  0.498  1.0
  Co  Co7  1  0.246  0.502  0.998  1.0
  O  O8  1  0.047  0.675  0.546  1.0
  O  O9  1  0.953  0.675  0.046  1.0
  O  O10  1  0.485  0.276  0.472  1.0
  O  O11  1  0.515  0.276  0.972  1.0
  O  O12  1  0.498  0.729  0.534  1.0
  O  O13  1  0.502  0.729  0.034  1.0
  O  O14  1  0.968  0.242  0.454  1.0
  O  O15  1  0.032  0.242  0.954  1.0
  O  O16  1  0.241  0.857  0.742  1.0
  O  O17  1  0.759  0.857  0.242  1.0
  O  O18  1  0.278  0.200  0.257  1.0
  O  O19  1  0.722  0.200  0.757  1.0
[/CIF]
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The material structure described by BaPrCoTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), one Ta(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Pr(1), one Ta(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_BaPrTaCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.829
_cell_length_b   5.754
_cell_length_c   9.900
_cell_angle_alpha   54.641
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   270.797
_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
  Ba  Ba0  1  0.761  0.749  0.750  1.0
  Ba  Ba1  1  0.239  0.749  0.250  1.0
  Pr  Pr2  1  0.701  0.270  0.247  1.0
  Pr  Pr3  1  0.299  0.270  0.747  1.0
  Ta  Ta4  1  0.758  0.999  0.000  1.0
  Ta  Ta5  1  0.242  0.999  0.500  1.0
  Co  Co6  1  0.754  0.502  0.498  1.0
  Co  Co7  1  0.246  0.502  0.998  1.0
  O  O8  1  0.047  0.675  0.546  1.0
  O  O9  1  0.953  0.675  0.046  1.0
  O  O10  1  0.485  0.276  0.472  1.0
  O  O11  1  0.515  0.276  0.972  1.0
  O  O12  1  0.498  0.729  0.534  1.0
  O  O13  1  0.502  0.729  0.034  1.0
  O  O14  1  0.968  0.242  0.454  1.0
  O  O15  1  0.032  0.242  0.954  1.0
  O  O16  1  0.241  0.857  0.742  1.0
  O  O17  1  0.759  0.857  0.242  1.0
  O  O18  1  0.278  0.200  0.257  1.0
  O  O19  1  0.722  0.200  0.757  1.0
[/CIF]
.