The compound described by K3Ba2Pr2(BiO5)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with three equivalent K(3)O12 cuboctahedra, corners with six equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra,  a faceface with one Bi(2)O6 octahedra,  a faceface with one Bi(4)O6 octahedra, faces with three equivalent Pr(1)O6 octahedra, and faces with three equivalent Bi(1)O6 octahedra. In the second K site, K(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(4) atoms to form KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent K(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra,  a faceface with one Bi(3)O6 octahedra, faces with three equivalent Pr(2)O6 octahedra, and faces with three equivalent Bi(2)O6 octahedra. In the third K site, K(3) is bonded to three equivalent O(2) and nine equivalent O(5) atoms to form KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra, faces with three equivalent Bi(4)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent K(3)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra,  a faceface with one Pr(2)O6 octahedra,  a faceface with one Bi(1)O6 octahedra, faces with three equivalent Pr(1)O6 octahedra, and faces with three equivalent Bi(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(4) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Bi(2)O6 octahedra, faces with three equivalent Bi(3)O6 octahedra, and faces with four equivalent Pr(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form PrO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  a faceface with one K(2)O12 cuboctahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Pr site, Pr(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form PrO6 octahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form BiO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, corners with three equivalent Bi(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with four equivalent K(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, corners with three equivalent Pr(2)O6 octahedra,  a faceface with one K(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the third Bi site, Bi(3) is bonded to six equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Pr(2)O6 octahedra, faces with two equivalent K(2)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Bi site, Bi(4) is bonded to six equivalent O(5) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with six equivalent K(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to one K(2), three equivalent Ba(2), one Pr(2), and one Bi(3) atom. In the second O site, O(4) is bonded in a distorted linear geometry to two equivalent K(2), one Ba(1), one Ba(2), one Pr(2), and one Bi(2) atom. In the third O site, O(5) is bonded to one K(1), three equivalent K(3), one Bi(1), and one Bi(4) atom to form a mixture of distorted edge, corner, and face-sharing OK4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(1) is bonded in a distorted linear geometry to one K(1), one K(2), two equivalent Ba(1), one Pr(1), and one Bi(2) atom. In the fifth O site, O(2) is bonded in a distorted linear geometry to one K(3), two equivalent K(1), one Ba(1), one Pr(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Ba2Pr2(BiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   31.397
_cell_angle_alpha   59.963
_cell_angle_beta   59.963
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   876.905
_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
  K  K0  1  0.256  0.256  0.046  1.0
  K  K1  1  0.251  0.251  0.249  1.0
  K  K2  1  0.749  0.749  0.551  1.0
  K  K3  1  0.247  0.247  0.852  1.0
  K  K4  1  0.744  0.744  0.754  1.0
  K  K5  1  0.753  0.753  0.948  1.0
  Ba  Ba6  1  0.755  0.755  0.147  1.0
  Ba  Ba7  1  0.249  0.249  0.450  1.0
  Ba  Ba8  1  0.751  0.751  0.350  1.0
  Ba  Ba9  1  0.245  0.245  0.653  1.0
  Pr  Pr10  1  0.507  0.507  0.096  1.0
  Pr  Pr11  1  0.503  0.503  0.298  1.0
  Pr  Pr12  1  0.497  0.497  0.502  1.0
  Pr  Pr13  1  0.493  0.493  0.704  1.0
  Bi  Bi14  1  0.004  0.004  0.997  1.0
  Bi  Bi15  1  0.003  0.003  0.198  1.0
  Bi  Bi16  1  1.000  1.000  0.400  1.0
  Bi  Bi17  1  0.997  0.997  0.602  1.0
  Bi  Bi18  1  0.996  0.996  0.803  1.0
  Bi  Bi19  1  0.500  0.500  0.900  1.0
  O  O20  1  0.242  0.242  0.151  1.0
  O  O21  1  0.229  0.767  0.047  1.0
  O  O22  1  0.767  0.229  0.047  1.0
  O  O23  1  0.242  0.761  0.151  1.0
  O  O24  1  0.239  0.239  0.354  1.0
  O  O25  1  0.236  0.764  0.247  1.0
  O  O26  1  0.761  0.242  0.151  1.0
  O  O27  1  0.767  0.767  0.047  1.0
  O  O28  1  0.764  0.236  0.247  1.0
  O  O29  1  0.239  0.749  0.354  1.0
  O  O30  1  0.236  0.236  0.553  1.0
  O  O31  1  0.251  0.761  0.445  1.0
  O  O32  1  0.749  0.239  0.354  1.0
  O  O33  1  0.764  0.764  0.247  1.0
  O  O34  1  0.761  0.251  0.445  1.0
  O  O35  1  0.236  0.764  0.553  1.0
  O  O36  1  0.233  0.233  0.753  1.0
  O  O37  1  0.238  0.758  0.649  1.0
  O  O38  1  0.764  0.236  0.553  1.0
  O  O39  1  0.761  0.761  0.445  1.0
  O  O40  1  0.758  0.238  0.649  1.0
  O  O41  1  0.233  0.771  0.753  1.0
  O  O42  1  0.253  0.253  0.948  1.0
  O  O43  1  0.247  0.747  0.852  1.0
  O  O44  1  0.771  0.233  0.753  1.0
  O  O45  1  0.758  0.758  0.649  1.0
  O  O46  1  0.747  0.247  0.852  1.0
  O  O47  1  0.253  0.753  0.948  1.0
  O  O48  1  0.753  0.253  0.948  1.0
  O  O49  1  0.747  0.747  0.852  1.0
[/CIF]
.
The compound described by K3Ba2Pr2(BiO5)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with three equivalent K(3)O12 cuboctahedra, corners with six equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra,  a faceface with one Bi(2)O6 octahedra,  a faceface with one Bi(4)O6 octahedra, faces with three equivalent Pr(1)O6 octahedra, and faces with three equivalent Bi(1)O6 octahedra. In the second K site, K(2) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(4) atoms to form KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent K(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra,  a faceface with one Bi(3)O6 octahedra, faces with three equivalent Pr(2)O6 octahedra, and faces with three equivalent Bi(2)O6 octahedra. In the third K site, K(3) is bonded to three equivalent O(2) and nine equivalent O(5) atoms to form KO12 cuboctahedra that share corners with three equivalent K(1)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(3)O12 cuboctahedra,  a faceface with one Pr(1)O6 octahedra, faces with three equivalent Bi(4)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent K(3)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra,  a faceface with one Pr(2)O6 octahedra,  a faceface with one Bi(1)O6 octahedra, faces with three equivalent Pr(1)O6 octahedra, and faces with three equivalent Bi(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(4) and nine equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent K(2)O12 cuboctahedra, corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Bi(2)O6 octahedra, faces with three equivalent Bi(3)O6 octahedra, and faces with four equivalent Pr(2)O6 octahedra. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form PrO6 octahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  a faceface with one K(2)O12 cuboctahedra,  a faceface with one K(3)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Pr site, Pr(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form PrO6 octahedra that share corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form BiO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, corners with three equivalent Bi(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent K(1)O12 cuboctahedra, and faces with four equivalent K(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Bi site, Bi(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form BiO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, corners with three equivalent Pr(2)O6 octahedra,  a faceface with one K(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent K(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the third Bi site, Bi(3) is bonded to six equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Pr(2)O6 octahedra, faces with two equivalent K(2)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Bi site, Bi(4) is bonded to six equivalent O(5) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with six equivalent K(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to one K(2), three equivalent Ba(2), one Pr(2), and one Bi(3) atom. In the second O site, O(4) is bonded in a distorted linear geometry to two equivalent K(2), one Ba(1), one Ba(2), one Pr(2), and one Bi(2) atom. In the third O site, O(5) is bonded to one K(1), three equivalent K(3), one Bi(1), and one Bi(4) atom to form a mixture of distorted edge, corner, and face-sharing OK4Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourth O site, O(1) is bonded in a distorted linear geometry to one K(1), one K(2), two equivalent Ba(1), one Pr(1), and one Bi(2) atom. In the fifth O site, O(2) is bonded in a distorted linear geometry to one K(3), two equivalent K(1), one Ba(1), one Pr(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Ba2Pr2(BiO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   31.397
_cell_angle_alpha   59.963
_cell_angle_beta   59.963
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   876.905
_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
  K  K0  1  0.256  0.256  0.046  1.0
  K  K1  1  0.251  0.251  0.249  1.0
  K  K2  1  0.749  0.749  0.551  1.0
  K  K3  1  0.247  0.247  0.852  1.0
  K  K4  1  0.744  0.744  0.754  1.0
  K  K5  1  0.753  0.753  0.948  1.0
  Ba  Ba6  1  0.755  0.755  0.147  1.0
  Ba  Ba7  1  0.249  0.249  0.450  1.0
  Ba  Ba8  1  0.751  0.751  0.350  1.0
  Ba  Ba9  1  0.245  0.245  0.653  1.0
  Pr  Pr10  1  0.507  0.507  0.096  1.0
  Pr  Pr11  1  0.503  0.503  0.298  1.0
  Pr  Pr12  1  0.497  0.497  0.502  1.0
  Pr  Pr13  1  0.493  0.493  0.704  1.0
  Bi  Bi14  1  0.004  0.004  0.997  1.0
  Bi  Bi15  1  0.003  0.003  0.198  1.0
  Bi  Bi16  1  1.000  1.000  0.400  1.0
  Bi  Bi17  1  0.997  0.997  0.602  1.0
  Bi  Bi18  1  0.996  0.996  0.803  1.0
  Bi  Bi19  1  0.500  0.500  0.900  1.0
  O  O20  1  0.242  0.242  0.151  1.0
  O  O21  1  0.229  0.767  0.047  1.0
  O  O22  1  0.767  0.229  0.047  1.0
  O  O23  1  0.242  0.761  0.151  1.0
  O  O24  1  0.239  0.239  0.354  1.0
  O  O25  1  0.236  0.764  0.247  1.0
  O  O26  1  0.761  0.242  0.151  1.0
  O  O27  1  0.767  0.767  0.047  1.0
  O  O28  1  0.764  0.236  0.247  1.0
  O  O29  1  0.239  0.749  0.354  1.0
  O  O30  1  0.236  0.236  0.553  1.0
  O  O31  1  0.251  0.761  0.445  1.0
  O  O32  1  0.749  0.239  0.354  1.0
  O  O33  1  0.764  0.764  0.247  1.0
  O  O34  1  0.761  0.251  0.445  1.0
  O  O35  1  0.236  0.764  0.553  1.0
  O  O36  1  0.233  0.233  0.753  1.0
  O  O37  1  0.238  0.758  0.649  1.0
  O  O38  1  0.764  0.236  0.553  1.0
  O  O39  1  0.761  0.761  0.445  1.0
  O  O40  1  0.758  0.238  0.649  1.0
  O  O41  1  0.233  0.771  0.753  1.0
  O  O42  1  0.253  0.253  0.948  1.0
  O  O43  1  0.247  0.747  0.852  1.0
  O  O44  1  0.771  0.233  0.753  1.0
  O  O45  1  0.758  0.758  0.649  1.0
  O  O46  1  0.747  0.247  0.852  1.0
  O  O47  1  0.253  0.753  0.948  1.0
  O  O48  1  0.753  0.253  0.948  1.0
  O  O49  1  0.747  0.747  0.852  1.0
[/CIF]
.