The material described by KDyLaBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form DyO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-30°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. In the second La site, La(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share faces with four equivalent Dy(1)O6 octahedra and faces with four equivalent Bi(1)O6 octahedra. 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 Dy(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Dy(1), one La(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Dy(1), one La(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one Dy(1), one La(1), one La(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLaDyBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.595
_cell_length_b   8.449
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.489
_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  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  La  La4  1  0.500  0.000  0.500  1.0
  La  La5  1  0.000  0.500  0.000  1.0
  La  La6  1  0.000  0.000  0.000  1.0
  La  La7  1  0.500  0.500  0.500  1.0
  Dy  Dy8  1  0.250  0.250  0.250  1.0
  Dy  Dy9  1  0.750  0.750  0.250  1.0
  Dy  Dy10  1  0.750  0.250  0.750  1.0
  Dy  Dy11  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  0.994  0.209  0.259  1.0
  O  O17  1  0.006  0.791  0.259  1.0
  O  O18  1  0.006  0.209  0.741  1.0
  O  O19  1  0.994  0.791  0.741  1.0
  O  O20  1  0.275  0.994  0.212  1.0
  O  O21  1  0.275  0.006  0.788  1.0
  O  O22  1  0.725  0.006  0.212  1.0
  O  O23  1  0.725  0.994  0.788  1.0
  O  O24  1  0.192  0.282  0.995  1.0
  O  O25  1  0.808  0.282  0.005  1.0
  O  O26  1  0.192  0.718  0.005  1.0
  O  O27  1  0.808  0.718  0.995  1.0
  O  O28  1  0.506  0.291  0.241  1.0
  O  O29  1  0.494  0.709  0.241  1.0
  O  O30  1  0.494  0.291  0.759  1.0
  O  O31  1  0.506  0.709  0.759  1.0
  O  O32  1  0.225  0.506  0.288  1.0
  O  O33  1  0.225  0.494  0.712  1.0
  O  O34  1  0.775  0.494  0.288  1.0
  O  O35  1  0.775  0.506  0.712  1.0
  O  O36  1  0.308  0.218  0.505  1.0
  O  O37  1  0.692  0.218  0.495  1.0
  O  O38  1  0.308  0.782  0.495  1.0
  O  O39  1  0.692  0.782  0.505  1.0
[/CIF]
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The material described by KDyLaBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form DyO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-30°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. In the second La site, La(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share faces with four equivalent Dy(1)O6 octahedra and faces with four equivalent Bi(1)O6 octahedra. 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 Dy(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 19-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Dy(1), one La(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Dy(1), one La(2), and one Bi(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one Dy(1), one La(1), one La(2), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLaDyBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.595
_cell_length_b   8.449
_cell_length_c   8.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   624.489
_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  0.000  0.500  0.500  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  K  K2  1  0.500  0.000  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  La  La4  1  0.500  0.000  0.500  1.0
  La  La5  1  0.000  0.500  0.000  1.0
  La  La6  1  0.000  0.000  0.000  1.0
  La  La7  1  0.500  0.500  0.500  1.0
  Dy  Dy8  1  0.250  0.250  0.250  1.0
  Dy  Dy9  1  0.750  0.750  0.250  1.0
  Dy  Dy10  1  0.750  0.250  0.750  1.0
  Dy  Dy11  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  0.994  0.209  0.259  1.0
  O  O17  1  0.006  0.791  0.259  1.0
  O  O18  1  0.006  0.209  0.741  1.0
  O  O19  1  0.994  0.791  0.741  1.0
  O  O20  1  0.275  0.994  0.212  1.0
  O  O21  1  0.275  0.006  0.788  1.0
  O  O22  1  0.725  0.006  0.212  1.0
  O  O23  1  0.725  0.994  0.788  1.0
  O  O24  1  0.192  0.282  0.995  1.0
  O  O25  1  0.808  0.282  0.005  1.0
  O  O26  1  0.192  0.718  0.005  1.0
  O  O27  1  0.808  0.718  0.995  1.0
  O  O28  1  0.506  0.291  0.241  1.0
  O  O29  1  0.494  0.709  0.241  1.0
  O  O30  1  0.494  0.291  0.759  1.0
  O  O31  1  0.506  0.709  0.759  1.0
  O  O32  1  0.225  0.506  0.288  1.0
  O  O33  1  0.225  0.494  0.712  1.0
  O  O34  1  0.775  0.494  0.288  1.0
  O  O35  1  0.775  0.506  0.712  1.0
  O  O36  1  0.308  0.218  0.505  1.0
  O  O37  1  0.692  0.218  0.495  1.0
  O  O38  1  0.308  0.782  0.495  1.0
  O  O39  1  0.692  0.782  0.505  1.0
[/CIF]
.