The crystal structure described by K4CaU3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. Ca(1) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent U(1)O6 octahedra and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent K(1), one Ca(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4CaU3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.514
_cell_length_b   7.514
_cell_length_c   7.514
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   326.529
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.500  0.000  0.500  1.0
  U  U6  1  0.000  0.500  0.500  1.0
  U  U7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.750  0.500  0.250  1.0
  O  O10  1  0.250  0.500  0.750  1.0
  O  O11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.500  0.250  0.750  1.0
  O  O13  1  0.750  0.250  0.500  1.0
  O  O14  1  0.727  0.727  0.000  1.0
  O  O15  1  0.273  0.000  0.273  1.0
  O  O16  1  0.273  0.273  0.000  1.0
  O  O17  1  0.000  0.273  0.273  1.0
  O  O18  1  0.000  0.727  0.727  1.0
  O  O19  1  0.727  0.000  0.727  1.0
[/CIF]
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The crystal structure described by K4CaU3O12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. K(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with two equivalent Ca(1)O6 octahedra, and faces with six equivalent U(1)O6 octahedra. Ca(1) is bonded to six equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent U(1)O6 octahedra and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. U(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form UO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent U(1)O6 octahedra, and faces with eight equivalent K(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent U(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent K(1), one Ca(1), and one U(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4CaU3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.514
_cell_length_b   7.514
_cell_length_c   7.514
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   326.529
_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  0.000  0.500  0.000  1.0
  K  K1  1  0.500  0.000  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.500  0.500  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  U  U5  1  0.500  0.000  0.500  1.0
  U  U6  1  0.000  0.500  0.500  1.0
  U  U7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.250  0.750  0.500  1.0
  O  O9  1  0.750  0.500  0.250  1.0
  O  O10  1  0.250  0.500  0.750  1.0
  O  O11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.500  0.250  0.750  1.0
  O  O13  1  0.750  0.250  0.500  1.0
  O  O14  1  0.727  0.727  0.000  1.0
  O  O15  1  0.273  0.000  0.273  1.0
  O  O16  1  0.273  0.273  0.000  1.0
  O  O17  1  0.000  0.273  0.273  1.0
  O  O18  1  0.000  0.727  0.727  1.0
  O  O19  1  0.727  0.000  0.727  1.0
[/CIF]
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