The material described by KCeLaSnO6 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 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-29°. 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 Ce(1)O6 octahedra and faces with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ce(1), one La(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one La(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one Ce(1), one La(1), one La(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_KLaCeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.396
_cell_length_c   8.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.643
_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
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.250  0.250  0.750  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.750  0.250  0.250  1.0
  Sn  Sn12  1  0.250  0.250  0.250  1.0
  Sn  Sn13  1  0.750  0.750  0.250  1.0
  Sn  Sn14  1  0.750  0.250  0.750  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.007  0.213  0.259  1.0
  O  O17  1  0.993  0.787  0.259  1.0
  O  O18  1  0.993  0.213  0.741  1.0
  O  O19  1  0.007  0.787  0.741  1.0
  O  O20  1  0.273  0.008  0.217  1.0
  O  O21  1  0.273  0.992  0.783  1.0
  O  O22  1  0.727  0.992  0.217  1.0
  O  O23  1  0.727  0.008  0.783  1.0
  O  O24  1  0.193  0.280  0.009  1.0
  O  O25  1  0.807  0.280  0.991  1.0
  O  O26  1  0.193  0.720  0.991  1.0
  O  O27  1  0.807  0.720  0.009  1.0
  O  O28  1  0.493  0.287  0.241  1.0
  O  O29  1  0.507  0.713  0.241  1.0
  O  O30  1  0.507  0.287  0.759  1.0
  O  O31  1  0.493  0.713  0.759  1.0
  O  O32  1  0.227  0.492  0.283  1.0
  O  O33  1  0.227  0.508  0.717  1.0
  O  O34  1  0.773  0.508  0.283  1.0
  O  O35  1  0.773  0.492  0.717  1.0
  O  O36  1  0.307  0.220  0.491  1.0
  O  O37  1  0.693  0.220  0.509  1.0
  O  O38  1  0.307  0.780  0.509  1.0
  O  O39  1  0.693  0.780  0.491  1.0
[/CIF]
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The material described by KCeLaSnO6 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 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-29°. 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 Ce(1)O6 octahedra and faces with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 17-29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Ce(1), one La(2), and one Sn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one La(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(2), one Ce(1), one La(1), one La(2), and one Sn(1) atom. is represented by the CIF file [CIF]
data_KLaCeSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.396
_cell_length_c   8.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   611.643
_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
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.250  0.250  0.750  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.750  0.250  0.250  1.0
  Sn  Sn12  1  0.250  0.250  0.250  1.0
  Sn  Sn13  1  0.750  0.750  0.250  1.0
  Sn  Sn14  1  0.750  0.250  0.750  1.0
  Sn  Sn15  1  0.250  0.750  0.750  1.0
  O  O16  1  0.007  0.213  0.259  1.0
  O  O17  1  0.993  0.787  0.259  1.0
  O  O18  1  0.993  0.213  0.741  1.0
  O  O19  1  0.007  0.787  0.741  1.0
  O  O20  1  0.273  0.008  0.217  1.0
  O  O21  1  0.273  0.992  0.783  1.0
  O  O22  1  0.727  0.992  0.217  1.0
  O  O23  1  0.727  0.008  0.783  1.0
  O  O24  1  0.193  0.280  0.009  1.0
  O  O25  1  0.807  0.280  0.991  1.0
  O  O26  1  0.193  0.720  0.991  1.0
  O  O27  1  0.807  0.720  0.009  1.0
  O  O28  1  0.493  0.287  0.241  1.0
  O  O29  1  0.507  0.713  0.241  1.0
  O  O30  1  0.507  0.287  0.759  1.0
  O  O31  1  0.493  0.713  0.759  1.0
  O  O32  1  0.227  0.492  0.283  1.0
  O  O33  1  0.227  0.508  0.717  1.0
  O  O34  1  0.773  0.508  0.283  1.0
  O  O35  1  0.773  0.492  0.717  1.0
  O  O36  1  0.307  0.220  0.491  1.0
  O  O37  1  0.693  0.220  0.509  1.0
  O  O38  1  0.307  0.780  0.509  1.0
  O  O39  1  0.693  0.780  0.491  1.0
[/CIF]
.