The structure described by KSmHf4O12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 6-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1), one Sm(1), and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one Sm(1), and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Sm(1) and two equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSmHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.747
_symmetry_Int_Tables_number   1
_cell_volume   275.539
_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  0.981  0.019  0.000  1.0
  Sm  Sm1  1  0.524  0.476  0.500  1.0
  Hf  Hf2  1  0.493  0.991  0.246  1.0
  Hf  Hf3  1  0.493  0.991  0.754  1.0
  Hf  Hf4  1  0.009  0.507  0.754  1.0
  Hf  Hf5  1  0.009  0.507  0.246  1.0
  O  O6  1  0.235  0.235  0.269  1.0
  O  O7  1  0.765  0.765  0.269  1.0
  O  O8  1  0.765  0.765  0.731  1.0
  O  O9  1  0.235  0.235  0.731  1.0
  O  O10  1  0.293  0.707  0.309  1.0
  O  O11  1  0.723  0.277  0.254  1.0
  O  O12  1  0.723  0.277  0.746  1.0
  O  O13  1  0.293  0.707  0.691  1.0
  O  O14  1  0.476  0.982  0.000  1.0
  O  O15  1  0.515  0.065  0.500  1.0
  O  O16  1  0.018  0.524  0.000  1.0
  O  O17  1  0.935  0.485  0.500  1.0
[/CIF]
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The structure described by KSmHf4O12 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded in a distorted q6 geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Hf(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 6-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1), one Sm(1), and two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sm(1) and two equivalent Hf(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one Sm(1), and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Sm(1) and two equivalent Hf(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSmHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   8.240
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.747
_symmetry_Int_Tables_number   1
_cell_volume   275.539
_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  0.981  0.019  0.000  1.0
  Sm  Sm1  1  0.524  0.476  0.500  1.0
  Hf  Hf2  1  0.493  0.991  0.246  1.0
  Hf  Hf3  1  0.493  0.991  0.754  1.0
  Hf  Hf4  1  0.009  0.507  0.754  1.0
  Hf  Hf5  1  0.009  0.507  0.246  1.0
  O  O6  1  0.235  0.235  0.269  1.0
  O  O7  1  0.765  0.765  0.269  1.0
  O  O8  1  0.765  0.765  0.731  1.0
  O  O9  1  0.235  0.235  0.731  1.0
  O  O10  1  0.293  0.707  0.309  1.0
  O  O11  1  0.723  0.277  0.254  1.0
  O  O12  1  0.723  0.277  0.746  1.0
  O  O13  1  0.293  0.707  0.691  1.0
  O  O14  1  0.476  0.982  0.000  1.0
  O  O15  1  0.515  0.065  0.500  1.0
  O  O16  1  0.018  0.524  0.000  1.0
  O  O17  1  0.935  0.485  0.500  1.0
[/CIF]
.