The crystal structure described by BaSrPrCoO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded 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 to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, faces with two equivalent Pr(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. Sr(1) is bonded 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 to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, faces with two equivalent Pr(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra, corners with four equivalent Pr(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Pr(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrPrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.895
_cell_length_c   8.408
_cell_angle_alpha   90.073
_cell_angle_beta   89.986
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   292.677
_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  1.000  0.003  0.250  1.0
  Ba  Ba1  1  0.000  0.997  0.750  1.0
  Sr  Sr2  1  0.500  0.503  0.250  1.0
  Sr  Sr3  1  0.500  0.497  0.750  1.0
  Pr  Pr4  1  0.500  0.000  0.000  1.0
  Pr  Pr5  1  0.000  0.500  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.214  0.268  0.988  1.0
  O  O9  1  0.288  0.759  0.512  1.0
  O  O10  1  0.786  0.732  0.012  1.0
  O  O11  1  0.712  0.241  0.488  1.0
  O  O12  1  0.239  0.711  0.988  1.0
  O  O13  1  0.270  0.213  0.512  1.0
  O  O14  1  0.761  0.289  0.012  1.0
  O  O15  1  0.730  0.787  0.488  1.0
  O  O16  1  0.479  0.998  0.275  1.0
  O  O17  1  0.027  0.499  0.225  1.0
  O  O18  1  0.521  0.002  0.725  1.0
  O  O19  1  0.973  0.501  0.775  1.0
[/CIF]
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The crystal structure described by BaSrPrCoO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded 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 to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, faces with two equivalent Pr(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. Sr(1) is bonded 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 to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, faces with two equivalent Pr(2)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, and faces with two equivalent Co(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form PrO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Pr site, Pr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form PrO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Pr(2)O6 octahedra, corners with four equivalent Pr(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Pr(1)O6 octahedra, corners with four equivalent Pr(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Pr(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrPrCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.905
_cell_length_b   5.895
_cell_length_c   8.408
_cell_angle_alpha   90.073
_cell_angle_beta   89.986
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   292.677
_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  1.000  0.003  0.250  1.0
  Ba  Ba1  1  0.000  0.997  0.750  1.0
  Sr  Sr2  1  0.500  0.503  0.250  1.0
  Sr  Sr3  1  0.500  0.497  0.750  1.0
  Pr  Pr4  1  0.500  0.000  0.000  1.0
  Pr  Pr5  1  0.000  0.500  0.500  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.214  0.268  0.988  1.0
  O  O9  1  0.288  0.759  0.512  1.0
  O  O10  1  0.786  0.732  0.012  1.0
  O  O11  1  0.712  0.241  0.488  1.0
  O  O12  1  0.239  0.711  0.988  1.0
  O  O13  1  0.270  0.213  0.512  1.0
  O  O14  1  0.761  0.289  0.012  1.0
  O  O15  1  0.730  0.787  0.488  1.0
  O  O16  1  0.479  0.998  0.275  1.0
  O  O17  1  0.027  0.499  0.225  1.0
  O  O18  1  0.521  0.002  0.725  1.0
  O  O19  1  0.973  0.501  0.775  1.0
[/CIF]
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