The material described by KLa(SnO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra and faces with eight equivalent Sn(1)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-24°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one La(1), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one La(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_KLa(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   8.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.755
_symmetry_Int_Tables_number   1
_cell_volume   274.113
_cell_formula_units_Z   1
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  0.999  0.001  0.500  1.0
  La  La1  1  0.501  0.499  0.000  1.0
  Sn  Sn2  1  0.498  0.000  0.257  1.0
  Sn  Sn3  1  0.498  0.000  0.743  1.0
  Sn  Sn4  1  1.000  0.502  0.743  1.0
  Sn  Sn5  1  1.000  0.502  0.257  1.0
  O  O6  1  0.277  0.280  0.221  1.0
  O  O7  1  0.720  0.723  0.221  1.0
  O  O8  1  0.720  0.723  0.779  1.0
  O  O9  1  0.277  0.280  0.779  1.0
  O  O10  1  0.253  0.747  0.204  1.0
  O  O11  1  0.765  0.235  0.256  1.0
  O  O12  1  0.765  0.235  0.744  1.0
  O  O13  1  0.253  0.747  0.796  1.0
  O  O14  1  0.518  0.050  0.000  1.0
  O  O15  1  0.478  0.982  0.500  1.0
  O  O16  1  0.950  0.482  0.000  1.0
  O  O17  1  0.018  0.522  0.500  1.0
[/CIF]
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The material described by KLa(SnO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra and faces with eight equivalent Sn(1)O6 octahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-24°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one La(1), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one La(1), and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Sn(1) atoms. is represented by the CIF card [CIF]
data_KLa(SnO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.766
_cell_length_b   5.766
_cell_length_c   8.244
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.755
_symmetry_Int_Tables_number   1
_cell_volume   274.113
_cell_formula_units_Z   1
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  0.999  0.001  0.500  1.0
  La  La1  1  0.501  0.499  0.000  1.0
  Sn  Sn2  1  0.498  0.000  0.257  1.0
  Sn  Sn3  1  0.498  0.000  0.743  1.0
  Sn  Sn4  1  1.000  0.502  0.743  1.0
  Sn  Sn5  1  1.000  0.502  0.257  1.0
  O  O6  1  0.277  0.280  0.221  1.0
  O  O7  1  0.720  0.723  0.221  1.0
  O  O8  1  0.720  0.723  0.779  1.0
  O  O9  1  0.277  0.280  0.779  1.0
  O  O10  1  0.253  0.747  0.204  1.0
  O  O11  1  0.765  0.235  0.256  1.0
  O  O12  1  0.765  0.235  0.744  1.0
  O  O13  1  0.253  0.747  0.796  1.0
  O  O14  1  0.518  0.050  0.000  1.0
  O  O15  1  0.478  0.982  0.500  1.0
  O  O16  1  0.950  0.482  0.000  1.0
  O  O17  1  0.018  0.522  0.500  1.0
[/CIF]
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