The material described by KBaTbBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second K site, K(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)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 four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-13°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_KBaTbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.742
_cell_length_b   8.709
_cell_length_c   8.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.337
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Ba  Ba4  1  0.000  0.500  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.000  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.500  0.500  0.500  1.0
  Tb  Tb8  1  0.250  0.250  0.250  1.0
  Tb  Tb9  1  0.750  0.750  0.250  1.0
  Tb  Tb10  1  0.750  0.250  0.750  1.0
  Tb  Tb11  1  0.250  0.750  0.750  1.0
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.250  0.250  0.750  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.993  0.236  0.264  1.0
  O  O17  1  0.007  0.764  0.264  1.0
  O  O18  1  0.007  0.236  0.736  1.0
  O  O19  1  0.993  0.764  0.736  1.0
  O  O20  1  0.263  0.993  0.225  1.0
  O  O21  1  0.263  0.007  0.775  1.0
  O  O22  1  0.737  0.007  0.225  1.0
  O  O23  1  0.737  0.993  0.775  1.0
  O  O24  1  0.234  0.254  0.993  1.0
  O  O25  1  0.766  0.254  0.007  1.0
  O  O26  1  0.234  0.746  0.007  1.0
  O  O27  1  0.766  0.746  0.993  1.0
  O  O28  1  0.507  0.264  0.236  1.0
  O  O29  1  0.493  0.736  0.236  1.0
  O  O30  1  0.493  0.264  0.764  1.0
  O  O31  1  0.507  0.736  0.764  1.0
  O  O32  1  0.237  0.507  0.275  1.0
  O  O33  1  0.237  0.493  0.725  1.0
  O  O34  1  0.763  0.493  0.275  1.0
  O  O35  1  0.763  0.507  0.725  1.0
  O  O36  1  0.266  0.246  0.507  1.0
  O  O37  1  0.734  0.246  0.493  1.0
  O  O38  1  0.266  0.754  0.493  1.0
  O  O39  1  0.734  0.754  0.507  1.0
[/CIF]
.
The material described by KBaTbBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form KO12 cuboctahedra that share corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second K site, K(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)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 four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with four equivalent K(2)O12 cuboctahedra, corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Tb(1)O6 octahedra, and faces with four equivalent Bi(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TbO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-13°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, faces with two equivalent K(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ba(1), one Ba(2), one Tb(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_KBaTbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.742
_cell_length_b   8.709
_cell_length_c   8.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   666.337
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.000  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  Ba  Ba4  1  0.000  0.500  0.500  1.0
  Ba  Ba5  1  0.500  0.000  0.000  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Ba  Ba7  1  0.500  0.500  0.500  1.0
  Tb  Tb8  1  0.250  0.250  0.250  1.0
  Tb  Tb9  1  0.750  0.750  0.250  1.0
  Tb  Tb10  1  0.750  0.250  0.750  1.0
  Tb  Tb11  1  0.250  0.750  0.750  1.0
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.250  0.250  0.750  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.993  0.236  0.264  1.0
  O  O17  1  0.007  0.764  0.264  1.0
  O  O18  1  0.007  0.236  0.736  1.0
  O  O19  1  0.993  0.764  0.736  1.0
  O  O20  1  0.263  0.993  0.225  1.0
  O  O21  1  0.263  0.007  0.775  1.0
  O  O22  1  0.737  0.007  0.225  1.0
  O  O23  1  0.737  0.993  0.775  1.0
  O  O24  1  0.234  0.254  0.993  1.0
  O  O25  1  0.766  0.254  0.007  1.0
  O  O26  1  0.234  0.746  0.007  1.0
  O  O27  1  0.766  0.746  0.993  1.0
  O  O28  1  0.507  0.264  0.236  1.0
  O  O29  1  0.493  0.736  0.236  1.0
  O  O30  1  0.493  0.264  0.764  1.0
  O  O31  1  0.507  0.736  0.764  1.0
  O  O32  1  0.237  0.507  0.275  1.0
  O  O33  1  0.237  0.493  0.725  1.0
  O  O34  1  0.763  0.493  0.275  1.0
  O  O35  1  0.763  0.507  0.725  1.0
  O  O36  1  0.266  0.246  0.507  1.0
  O  O37  1  0.734  0.246  0.493  1.0
  O  O38  1  0.266  0.754  0.493  1.0
  O  O39  1  0.734  0.754  0.507  1.0
[/CIF]
.