The crystal structure described by KLi3SiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(8), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), one O(8), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(3), one Li(4), and one Si(1) atom. In the second O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(1), one Li(2), one Li(5), and one Si(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one Li(2), two equivalent Li(5), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Li(3), two equivalent Li(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Li(2), one Li(4), one Li(6), and one Si(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(2), one Li(3), one Li(5), one Li(6), and one Si(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(2), two equivalent Li(6), and one Si(1) atom. In the eighth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(3), two equivalent Li(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_KLi3SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   7.436
_cell_length_c   9.828
_cell_angle_alpha   84.018
_cell_angle_beta   76.528
_cell_angle_gamma   80.188
_symmetry_Int_Tables_number   1
_cell_volume   406.041
_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  0.005  0.383  0.884  1.0
  K  K1  1  0.995  0.617  0.116  1.0
  K  K2  1  0.042  0.141  0.629  1.0
  K  K3  1  0.958  0.859  0.371  1.0
  Li  Li4  1  0.793  0.061  0.103  1.0
  Li  Li5  1  0.207  0.939  0.897  1.0
  Li  Li6  1  0.483  0.328  0.611  1.0
  Li  Li7  1  0.517  0.672  0.389  1.0
  Li  Li8  1  0.200  0.170  0.145  1.0
  Li  Li9  1  0.800  0.830  0.855  1.0
  Li  Li10  1  0.535  0.426  0.129  1.0
  Li  Li11  1  0.465  0.574  0.871  1.0
  Li  Li12  1  0.432  0.050  0.374  1.0
  Li  Li13  1  0.568  0.950  0.626  1.0
  Li  Li14  1  0.187  0.451  0.395  1.0
  Li  Li15  1  0.813  0.549  0.605  1.0
  Si  Si16  1  0.839  0.292  0.351  1.0
  Si  Si17  1  0.161  0.708  0.649  1.0
  Si  Si18  1  0.440  0.787  0.137  1.0
  Si  Si19  1  0.560  0.213  0.863  1.0
  O  O20  1  0.650  0.168  0.458  1.0
  O  O21  1  0.350  0.832  0.542  1.0
  O  O22  1  0.206  0.923  0.096  1.0
  O  O23  1  0.794  0.077  0.904  1.0
  O  O24  1  0.346  0.617  0.251  1.0
  O  O25  1  0.654  0.383  0.749  1.0
  O  O26  1  0.126  0.207  0.350  1.0
  O  O27  1  0.874  0.793  0.650  1.0
  O  O28  1  0.196  0.499  0.592  1.0
  O  O29  1  0.804  0.501  0.408  1.0
  O  O30  1  0.392  0.318  0.002  1.0
  O  O31  1  0.608  0.682  0.998  1.0
  O  O32  1  0.817  0.288  0.186  1.0
  O  O33  1  0.183  0.712  0.814  1.0
  O  O34  1  0.406  0.108  0.782  1.0
  O  O35  1  0.594  0.892  0.218  1.0
[/CIF]
.
The crystal structure described by KLi3SiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(8), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(7), one O(8), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(3), one O(7), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a 4-coordinate geometry to two equivalent K(1), one Li(1), one Li(3), one Li(4), and one Si(1) atom. In the second O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(1), one Li(2), one Li(5), and one Si(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one Li(2), two equivalent Li(5), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one Li(3), two equivalent Li(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one K(1), one K(2), one Li(2), one Li(4), one Li(6), and one Si(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(2), one Li(3), one Li(5), one Li(6), and one Si(1) atom. In the seventh O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Li(2), two equivalent Li(6), and one Si(1) atom. In the eighth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(3), two equivalent Li(4), and one Si(2) atom. is represented by the CIF card [CIF]
data_KLi3SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.812
_cell_length_b   7.436
_cell_length_c   9.828
_cell_angle_alpha   84.018
_cell_angle_beta   76.528
_cell_angle_gamma   80.188
_symmetry_Int_Tables_number   1
_cell_volume   406.041
_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  0.005  0.383  0.884  1.0
  K  K1  1  0.995  0.617  0.116  1.0
  K  K2  1  0.042  0.141  0.629  1.0
  K  K3  1  0.958  0.859  0.371  1.0
  Li  Li4  1  0.793  0.061  0.103  1.0
  Li  Li5  1  0.207  0.939  0.897  1.0
  Li  Li6  1  0.483  0.328  0.611  1.0
  Li  Li7  1  0.517  0.672  0.389  1.0
  Li  Li8  1  0.200  0.170  0.145  1.0
  Li  Li9  1  0.800  0.830  0.855  1.0
  Li  Li10  1  0.535  0.426  0.129  1.0
  Li  Li11  1  0.465  0.574  0.871  1.0
  Li  Li12  1  0.432  0.050  0.374  1.0
  Li  Li13  1  0.568  0.950  0.626  1.0
  Li  Li14  1  0.187  0.451  0.395  1.0
  Li  Li15  1  0.813  0.549  0.605  1.0
  Si  Si16  1  0.839  0.292  0.351  1.0
  Si  Si17  1  0.161  0.708  0.649  1.0
  Si  Si18  1  0.440  0.787  0.137  1.0
  Si  Si19  1  0.560  0.213  0.863  1.0
  O  O20  1  0.650  0.168  0.458  1.0
  O  O21  1  0.350  0.832  0.542  1.0
  O  O22  1  0.206  0.923  0.096  1.0
  O  O23  1  0.794  0.077  0.904  1.0
  O  O24  1  0.346  0.617  0.251  1.0
  O  O25  1  0.654  0.383  0.749  1.0
  O  O26  1  0.126  0.207  0.350  1.0
  O  O27  1  0.874  0.793  0.650  1.0
  O  O28  1  0.196  0.499  0.592  1.0
  O  O29  1  0.804  0.501  0.408  1.0
  O  O30  1  0.392  0.318  0.002  1.0
  O  O31  1  0.608  0.682  0.998  1.0
  O  O32  1  0.817  0.288  0.186  1.0
  O  O33  1  0.183  0.712  0.814  1.0
  O  O34  1  0.406  0.108  0.782  1.0
  O  O35  1  0.594  0.892  0.218  1.0
[/CIF]
.