The compound described by CsKNa2Li12(SiO4)4 crystallizes in the tetragonal I4/m space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the fourth Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. In the second Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1); one K(1); one Li(1); two Li(2,2); and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa2Li3Si octahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_CsKNa2Li12(SiO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.509
_cell_length_c   8.509
_cell_angle_alpha   98.211
_cell_angle_beta   98.211
_cell_angle_gamma   135.590
_symmetry_Int_Tables_number   1
_cell_volume   399.089
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.750  0.250  0.500  1.0
  Na  Na3  1  0.250  0.750  0.500  1.0
  Li  Li4  1  0.074  0.290  0.364  1.0
  Li  Li5  1  0.710  0.074  0.784  1.0
  Li  Li6  1  0.926  0.710  0.636  1.0
  Li  Li7  1  0.290  0.926  0.216  1.0
  Li  Li8  1  0.146  0.501  0.129  1.0
  Li  Li9  1  0.501  0.372  0.354  1.0
  Li  Li10  1  0.854  0.499  0.871  1.0
  Li  Li11  1  0.372  0.018  0.871  1.0
  Li  Li12  1  0.628  0.982  0.129  1.0
  Li  Li13  1  0.982  0.854  0.354  1.0
  Li  Li14  1  0.499  0.628  0.646  1.0
  Li  Li15  1  0.018  0.146  0.646  1.0
  Si  Si16  1  0.215  0.579  0.793  1.0
  Si  Si17  1  0.785  0.421  0.207  1.0
  Si  Si18  1  0.579  0.785  0.364  1.0
  Si  Si19  1  0.421  0.215  0.636  1.0
  O  O20  1  0.621  0.510  0.701  1.0
  O  O21  1  0.921  0.621  0.111  1.0
  O  O22  1  0.809  0.921  0.299  1.0
  O  O23  1  0.510  0.809  0.889  1.0
  O  O24  1  0.079  0.379  0.889  1.0
  O  O25  1  0.379  0.490  0.299  1.0
  O  O26  1  0.490  0.191  0.111  1.0
  O  O27  1  0.191  0.079  0.701  1.0
  O  O28  1  0.562  0.162  0.723  1.0
  O  O29  1  0.162  0.438  0.600  1.0
  O  O30  1  0.838  0.562  0.400  1.0
  O  O31  1  0.438  0.838  0.277  1.0
  O  O32  1  0.900  0.327  0.227  1.0
  O  O33  1  0.327  0.100  0.427  1.0
  O  O34  1  0.673  0.900  0.573  1.0
  O  O35  1  0.100  0.673  0.773  1.0
[/CIF]
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The compound described by CsKNa2Li12(SiO4)4 crystallizes in the tetragonal I4/m space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the fourth Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. In the second Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1); one K(1); one Li(1); two Li(2,2); and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa2Li3Si octahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_CsKNa2Li12(SiO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.509
_cell_length_c   8.509
_cell_angle_alpha   98.211
_cell_angle_beta   98.211
_cell_angle_gamma   135.590
_symmetry_Int_Tables_number   1
_cell_volume   399.089
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.750  0.250  0.500  1.0
  Na  Na3  1  0.250  0.750  0.500  1.0
  Li  Li4  1  0.074  0.290  0.364  1.0
  Li  Li5  1  0.710  0.074  0.784  1.0
  Li  Li6  1  0.926  0.710  0.636  1.0
  Li  Li7  1  0.290  0.926  0.216  1.0
  Li  Li8  1  0.146  0.501  0.129  1.0
  Li  Li9  1  0.501  0.372  0.354  1.0
  Li  Li10  1  0.854  0.499  0.871  1.0
  Li  Li11  1  0.372  0.018  0.871  1.0
  Li  Li12  1  0.628  0.982  0.129  1.0
  Li  Li13  1  0.982  0.854  0.354  1.0
  Li  Li14  1  0.499  0.628  0.646  1.0
  Li  Li15  1  0.018  0.146  0.646  1.0
  Si  Si16  1  0.215  0.579  0.793  1.0
  Si  Si17  1  0.785  0.421  0.207  1.0
  Si  Si18  1  0.579  0.785  0.364  1.0
  Si  Si19  1  0.421  0.215  0.636  1.0
  O  O20  1  0.621  0.510  0.701  1.0
  O  O21  1  0.921  0.621  0.111  1.0
  O  O22  1  0.809  0.921  0.299  1.0
  O  O23  1  0.510  0.809  0.889  1.0
  O  O24  1  0.079  0.379  0.889  1.0
  O  O25  1  0.379  0.490  0.299  1.0
  O  O26  1  0.490  0.191  0.111  1.0
  O  O27  1  0.191  0.079  0.701  1.0
  O  O28  1  0.562  0.162  0.723  1.0
  O  O29  1  0.162  0.438  0.600  1.0
  O  O30  1  0.838  0.562  0.400  1.0
  O  O31  1  0.438  0.838  0.277  1.0
  O  O32  1  0.900  0.327  0.227  1.0
  O  O33  1  0.327  0.100  0.427  1.0
  O  O34  1  0.673  0.900  0.573  1.0
  O  O35  1  0.100  0.673  0.773  1.0
[/CIF]
.