The material structure described by Ba2Pr3(CoO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(16), one O(5), one O(6), one O(9), two equivalent O(15), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(2)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with three equivalent Pr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), two equivalent O(10), and two equivalent O(16) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Pr(3)O12 cuboctahedra, corners with four equivalent Pr(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(4)O6 octahedra,  a faceface with one Co(5)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), one O(9), two equivalent O(13), and two equivalent O(2) atoms to form PrO12 cuboctahedra that share  a cornercorner with one Pr(1)O12 cuboctahedra,  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Pr(3)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the second Pr site, Pr(2) is bonded to two equivalent O(1), two equivalent O(10), two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(3)O12 cuboctahedra, corners with two equivalent Pr(4)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the third Pr site, Pr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(6) atoms to form PrO12 cuboctahedra that share  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(3)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(4)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(5)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. In the fourth Pr site, Pr(4) is bonded to two equivalent O(13), two equivalent O(15), two equivalent O(16), two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form PrO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(2)O12 cuboctahedra, corners with four equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(16), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(16), one O(2), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(14), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth Co site, Co(5) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Pr(1), one Pr(2), two equivalent Pr(3), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pr(2), one Pr(3), two equivalent Pr(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Co(4) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Pr(1), one Pr(2), one Pr(4), one Co(1), and one Co(5) atom to form distorted OBaPr3Co2 octahedra that share  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, edges with two equivalent O(5)Ba2Pr2Co2 octahedra, edges with two equivalent O(7)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra, and  a faceface with one O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), one Pr(1), one Pr(2), one Co(2), and one Co(3) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(6)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with three equivalent O(15)Ba3PrCo2 octahedra, corners with three equivalent O(7)BaPr3Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(4)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(14)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Pr(3), one Co(1), and one Co(3) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, corners with three equivalent O(15)Ba3PrCo2 octahedra,  an edgeedge with one O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra,  an edgeedge with one O(7)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(14)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Ba(2), one Pr(1), one Pr(3), one Pr(4), one Co(2), and one Co(4) atom to form distorted OBaPr3Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(6)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with three equivalent O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(4)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), one Pr(1), one Pr(3), one Co(4), and one Co(5) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(14)Ba4Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra,  an edgeedge with one O(7)BaPr3Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and faces with two equivalent O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one Pr(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(2), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(5)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(15)Ba3PrCo2 octahedra, corners with two equivalent O(14)Ba4Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(10)Ba2Pr2Co2 octahedra,  an edgeedge with one O(12)Ba2Pr2Co2 octahedra,  a faceface with one O(5)Ba2Pr2Co2 octahedra,  a faceface with one O(6)Ba2Pr2Co2 octahedra,  a faceface with one O(4)BaPr3Co2 octahedra, and  a faceface with one O(7)BaPr3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Co(3), and one Co(5) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), one Pr(1), one Pr(3), one Co(3), and one Co(4) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(5)Ba2Pr2Co2 octahedra,  a faceface with one O(6)Ba2Pr2Co2 octahedra,  a faceface with one O(8)Ba2Pr2Co2 octahedra,  a faceface with one O(15)Ba3PrCo2 octahedra,  a faceface with one O(14)Ba4Co2 octahedra, and  a faceface with one O(7)BaPr3Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(4), two equivalent Pr(1), one Co(2), and one Co(5) atom. In the fourteenth O site, O(14) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(3) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(15)Ba3PrCo2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, corners with two equivalent O(7)BaPr3Co2 octahedra, corners with four equivalent O(10)Ba2Pr2Co2 octahedra, corners with four equivalent O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(15)Ba3PrCo2 octahedra, faces with two equivalent O(12)Ba2Pr2Co2 octahedra, faces with two equivalent O(5)Ba2Pr2Co2 octahedra, and faces with two equivalent O(6)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the fifteenth O site, O(15) is bonded to one Ba(2), two equivalent Ba(1), one Pr(4), one Co(4), and one Co(5) atom to form distorted OBa3PrCo2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra,  a cornercorner with one O(4)BaPr3Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with three equivalent O(5)Ba2Pr2Co2 octahedra, corners with three equivalent O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(15)Ba3PrCo2 octahedra,  an edgeedge with one O(14)Ba4Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra,  a faceface with one O(4)BaPr3Co2 octahedra,  a faceface with one O(7)BaPr3Co2 octahedra, and faces with two equivalent O(8)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Pr(4), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Pr3(CoO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   8.770
_cell_length_c   8.840
_cell_angle_alpha   89.274
_cell_angle_beta   114.272
_cell_angle_gamma   101.793
_symmetry_Int_Tables_number   1
_cell_volume   598.877
_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  0.002  0.802  0.599  1.0
  Ba  Ba1  1  0.001  0.599  0.199  1.0
  Ba  Ba2  1  0.999  0.401  0.801  1.0
  Ba  Ba3  1  0.998  0.198  0.401  1.0
  Pr  Pr4  1  0.498  0.103  0.204  1.0
  Pr  Pr5  1  0.500  0.500  0.000  1.0
  Pr  Pr6  1  0.502  0.303  0.598  1.0
  Pr  Pr7  1  0.498  0.697  0.402  1.0
  Pr  Pr8  1  0.502  0.897  0.796  1.0
  Pr  Pr9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.254  0.350  0.202  1.0
  Co  Co11  1  0.251  0.750  0.001  1.0
  Co  Co12  1  0.249  0.549  0.600  1.0
  Co  Co13  1  0.250  0.951  0.400  1.0
  Co  Co14  1  0.255  0.151  0.803  1.0
  Co  Co15  1  0.751  0.451  0.400  1.0
  Co  Co16  1  0.745  0.849  0.197  1.0
  Co  Co17  1  0.746  0.650  0.798  1.0
  Co  Co18  1  0.750  0.049  0.600  1.0
  Co  Co19  1  0.749  0.250  0.999  1.0
  O  O20  1  0.505  0.400  0.302  1.0
  O  O21  1  0.489  0.802  0.094  1.0
  O  O22  1  0.495  0.600  0.698  1.0
  O  O23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.511  0.198  0.906  1.0
  O  O25  1  0.266  0.251  0.014  1.0
  O  O26  1  0.270  0.655  0.809  1.0
  O  O27  1  0.273  0.448  0.407  1.0
  O  O28  1  0.264  0.864  0.201  1.0
  O  O29  1  0.274  0.055  0.607  1.0
  O  O30  1  0.264  0.153  0.296  1.0
  O  O31  1  0.273  0.550  0.113  1.0
  O  O32  1  0.270  0.346  0.715  1.0
  O  O33  1  0.273  0.754  0.503  1.0
  O  O34  1  0.261  0.967  0.909  1.0
  O  O35  1  0.730  0.345  0.191  1.0
  O  O36  1  0.734  0.749  0.986  1.0
  O  O37  1  0.727  0.552  0.593  1.0
  O  O38  1  0.726  0.945  0.393  1.0
  O  O39  1  0.736  0.136  0.799  1.0
  O  O40  1  0.727  0.246  0.497  1.0
  O  O41  1  0.730  0.654  0.285  1.0
  O  O42  1  0.727  0.450  0.887  1.0
  O  O43  1  0.736  0.847  0.704  1.0
  O  O44  1  0.739  0.033  0.091  1.0
  O  O45  1  0.000  0.500  0.500  1.0
  O  O46  1  0.008  0.906  0.286  1.0
  O  O47  1  0.011  0.718  0.908  1.0
  O  O48  1  0.992  0.094  0.714  1.0
  O  O49  1  0.989  0.282  0.092  1.0
[/CIF]
.
The material structure described by Ba2Pr3(CoO3)5 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(16), one O(5), one O(6), one O(9), two equivalent O(15), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(2)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with three equivalent Pr(3)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), two equivalent O(10), and two equivalent O(16) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Pr(3)O12 cuboctahedra, corners with four equivalent Pr(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra,  a faceface with one Co(4)O6 octahedra,  a faceface with one Co(5)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one O(1), one O(12), one O(3), one O(4), one O(5), one O(7), one O(8), one O(9), two equivalent O(13), and two equivalent O(2) atoms to form PrO12 cuboctahedra that share  a cornercorner with one Pr(1)O12 cuboctahedra,  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(4)O12 cuboctahedra, corners with two equivalent Pr(3)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(3)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the second Pr site, Pr(2) is bonded to two equivalent O(1), two equivalent O(10), two equivalent O(11), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form PrO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(3)O12 cuboctahedra, corners with two equivalent Pr(4)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. In the third Pr site, Pr(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(6) atoms to form PrO12 cuboctahedra that share  a cornercorner with one Pr(2)O12 cuboctahedra,  a cornercorner with one Pr(3)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(4)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra,  a faceface with one Co(5)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. In the fourth Pr site, Pr(4) is bonded to two equivalent O(13), two equivalent O(15), two equivalent O(16), two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms to form PrO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Pr(1)O12 cuboctahedra, corners with two equivalent Pr(2)O12 cuboctahedra, corners with four equivalent Pr(3)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(4)O6 octahedra, and faces with two equivalent Co(5)O6 octahedra. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(16), one O(4), one O(6), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(16), one O(2), one O(5), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(12), one O(14), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Co(5)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a faceface with one Pr(1)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth Co site, Co(4) is bonded to one O(12), one O(15), one O(3), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth Co site, Co(5) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Pr(2)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra,  a faceface with one Pr(4)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Pr(1), one Pr(2), two equivalent Pr(3), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pr(2), one Pr(3), two equivalent Pr(1), one Co(2), and one Co(5) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Co(4) atoms. In the fourth O site, O(4) is bonded to one Ba(2), one Pr(1), one Pr(2), one Pr(4), one Co(1), and one Co(5) atom to form distorted OBaPr3Co2 octahedra that share  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, edges with two equivalent O(5)Ba2Pr2Co2 octahedra, edges with two equivalent O(7)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra, and  a faceface with one O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), one Pr(1), one Pr(2), one Co(2), and one Co(3) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(6)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with three equivalent O(15)Ba3PrCo2 octahedra, corners with three equivalent O(7)BaPr3Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(4)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(14)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Pr(3), one Co(1), and one Co(3) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, corners with three equivalent O(15)Ba3PrCo2 octahedra,  an edgeedge with one O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra,  an edgeedge with one O(7)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(14)Ba4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Ba(2), one Pr(1), one Pr(3), one Pr(4), one Co(2), and one Co(4) atom to form distorted OBaPr3Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(6)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with three equivalent O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(4)BaPr3Co2 octahedra,  a faceface with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and  a faceface with one O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the eighth O site, O(8) is bonded to two equivalent Ba(1), one Pr(1), one Pr(3), one Co(4), and one Co(5) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(12)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(14)Ba4Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(5)Ba2Pr2Co2 octahedra,  an edgeedge with one O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(8)Ba2Pr2Co2 octahedra,  an edgeedge with one O(7)BaPr3Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra, and faces with two equivalent O(15)Ba3PrCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one Pr(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(2), one Pr(2), one Pr(3), one Co(1), and one Co(2) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(8)Ba2Pr2Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(5)Ba2Pr2Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(15)Ba3PrCo2 octahedra, corners with two equivalent O(14)Ba4Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(10)Ba2Pr2Co2 octahedra,  an edgeedge with one O(12)Ba2Pr2Co2 octahedra,  a faceface with one O(5)Ba2Pr2Co2 octahedra,  a faceface with one O(6)Ba2Pr2Co2 octahedra,  a faceface with one O(4)BaPr3Co2 octahedra, and  a faceface with one O(7)BaPr3Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Co(3), and one Co(5) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), one Pr(1), one Pr(3), one Co(3), and one Co(4) atom to form distorted OBa2Pr2Co2 octahedra that share  a cornercorner with one O(10)Ba2Pr2Co2 octahedra,  a cornercorner with one O(5)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(6)Ba2Pr2Co2 octahedra, corners with two equivalent O(8)Ba2Pr2Co2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra,  an edgeedge with one O(10)Ba2Pr2Co2 octahedra,  a faceface with one O(5)Ba2Pr2Co2 octahedra,  a faceface with one O(6)Ba2Pr2Co2 octahedra,  a faceface with one O(8)Ba2Pr2Co2 octahedra,  a faceface with one O(15)Ba3PrCo2 octahedra,  a faceface with one O(14)Ba4Co2 octahedra, and  a faceface with one O(7)BaPr3Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-64°. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(4), two equivalent Pr(1), one Co(2), and one Co(5) atom. In the fourteenth O site, O(14) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Co(3) atoms to form distorted OBa4Co2 octahedra that share corners with two equivalent O(15)Ba3PrCo2 octahedra, corners with two equivalent O(4)BaPr3Co2 octahedra, corners with two equivalent O(7)BaPr3Co2 octahedra, corners with four equivalent O(10)Ba2Pr2Co2 octahedra, corners with four equivalent O(8)Ba2Pr2Co2 octahedra, edges with two equivalent O(15)Ba3PrCo2 octahedra, faces with two equivalent O(12)Ba2Pr2Co2 octahedra, faces with two equivalent O(5)Ba2Pr2Co2 octahedra, and faces with two equivalent O(6)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the fifteenth O site, O(15) is bonded to one Ba(2), two equivalent Ba(1), one Pr(4), one Co(4), and one Co(5) atom to form distorted OBa3PrCo2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Co2 octahedra,  a cornercorner with one O(15)Ba3PrCo2 octahedra,  a cornercorner with one O(14)Ba4Co2 octahedra,  a cornercorner with one O(4)BaPr3Co2 octahedra,  a cornercorner with one O(7)BaPr3Co2 octahedra, corners with two equivalent O(10)Ba2Pr2Co2 octahedra, corners with three equivalent O(5)Ba2Pr2Co2 octahedra, corners with three equivalent O(6)Ba2Pr2Co2 octahedra,  an edgeedge with one O(15)Ba3PrCo2 octahedra,  an edgeedge with one O(14)Ba4Co2 octahedra,  a faceface with one O(12)Ba2Pr2Co2 octahedra,  a faceface with one O(4)BaPr3Co2 octahedra,  a faceface with one O(7)BaPr3Co2 octahedra, and faces with two equivalent O(8)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Pr(4), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Pr3(CoO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   8.770
_cell_length_c   8.840
_cell_angle_alpha   89.274
_cell_angle_beta   114.272
_cell_angle_gamma   101.793
_symmetry_Int_Tables_number   1
_cell_volume   598.877
_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  0.002  0.802  0.599  1.0
  Ba  Ba1  1  0.001  0.599  0.199  1.0
  Ba  Ba2  1  0.999  0.401  0.801  1.0
  Ba  Ba3  1  0.998  0.198  0.401  1.0
  Pr  Pr4  1  0.498  0.103  0.204  1.0
  Pr  Pr5  1  0.500  0.500  0.000  1.0
  Pr  Pr6  1  0.502  0.303  0.598  1.0
  Pr  Pr7  1  0.498  0.697  0.402  1.0
  Pr  Pr8  1  0.502  0.897  0.796  1.0
  Pr  Pr9  1  0.000  0.000  0.000  1.0
  Co  Co10  1  0.254  0.350  0.202  1.0
  Co  Co11  1  0.251  0.750  0.001  1.0
  Co  Co12  1  0.249  0.549  0.600  1.0
  Co  Co13  1  0.250  0.951  0.400  1.0
  Co  Co14  1  0.255  0.151  0.803  1.0
  Co  Co15  1  0.751  0.451  0.400  1.0
  Co  Co16  1  0.745  0.849  0.197  1.0
  Co  Co17  1  0.746  0.650  0.798  1.0
  Co  Co18  1  0.750  0.049  0.600  1.0
  Co  Co19  1  0.749  0.250  0.999  1.0
  O  O20  1  0.505  0.400  0.302  1.0
  O  O21  1  0.489  0.802  0.094  1.0
  O  O22  1  0.495  0.600  0.698  1.0
  O  O23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.511  0.198  0.906  1.0
  O  O25  1  0.266  0.251  0.014  1.0
  O  O26  1  0.270  0.655  0.809  1.0
  O  O27  1  0.273  0.448  0.407  1.0
  O  O28  1  0.264  0.864  0.201  1.0
  O  O29  1  0.274  0.055  0.607  1.0
  O  O30  1  0.264  0.153  0.296  1.0
  O  O31  1  0.273  0.550  0.113  1.0
  O  O32  1  0.270  0.346  0.715  1.0
  O  O33  1  0.273  0.754  0.503  1.0
  O  O34  1  0.261  0.967  0.909  1.0
  O  O35  1  0.730  0.345  0.191  1.0
  O  O36  1  0.734  0.749  0.986  1.0
  O  O37  1  0.727  0.552  0.593  1.0
  O  O38  1  0.726  0.945  0.393  1.0
  O  O39  1  0.736  0.136  0.799  1.0
  O  O40  1  0.727  0.246  0.497  1.0
  O  O41  1  0.730  0.654  0.285  1.0
  O  O42  1  0.727  0.450  0.887  1.0
  O  O43  1  0.736  0.847  0.704  1.0
  O  O44  1  0.739  0.033  0.091  1.0
  O  O45  1  0.000  0.500  0.500  1.0
  O  O46  1  0.008  0.906  0.286  1.0
  O  O47  1  0.011  0.718  0.908  1.0
  O  O48  1  0.992  0.094  0.714  1.0
  O  O49  1  0.989  0.282  0.092  1.0
[/CIF]
.