The material described by LiY9(SiO4)6O2 crystallizes in the trigonal P3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(8) atoms. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Y site, Y(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(6), and three equivalent O(7) atoms. In the fourth Y site, Y(4) is bonded in a 9-coordinate geometry to three equivalent O(4), three equivalent O(6), and three equivalent O(7) atoms. In the fifth Y site, Y(5) is bonded in a 9-coordinate geometry to three equivalent O(3), three equivalent O(5), and three equivalent O(8) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded to one Y(1), one Y(3), one Y(4), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the second O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Y(2), one Y(5), and one Si(2) atom. In the third O site, O(9) is bonded in a trigonal planar geometry to three equivalent Y(1) atoms. In the fourth O site, O(10) is bonded in a trigonal planar geometry to three equivalent Y(2) atoms. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(3), and one Si(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(2) atom. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(5), and one Si(2) atom. In the eighth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(4), and one Si(1) atom. In the ninth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Y(5), and one Si(1) atom. In the tenth O site, O(6) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), one Y(4), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY9(Si3O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.455
_cell_length_b   9.455
_cell_length_c   6.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   525.034
_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
  Li  Li0  1  0.333  0.667  0.024  1.0
  Y  Y1  1  0.904  0.335  0.249  1.0
  Y  Y2  1  0.431  0.096  0.249  1.0
  Y  Y3  1  0.665  0.569  0.249  1.0
  Y  Y4  1  0.434  0.336  0.752  1.0
  Y  Y5  1  0.902  0.566  0.752  1.0
  Y  Y6  1  0.664  0.098  0.752  1.0
  Y  Y7  1  0.000  0.000  0.503  1.0
  Y  Y8  1  0.000  0.000  0.999  1.0
  Y  Y9  1  0.333  0.667  0.499  1.0
  Si  Si10  1  0.693  0.961  0.251  1.0
  Si  Si11  1  0.268  0.307  0.251  1.0
  Si  Si12  1  0.039  0.732  0.251  1.0
  Si  Si13  1  0.637  0.707  0.751  1.0
  Si  Si14  1  0.070  0.363  0.751  1.0
  Si  Si15  1  0.293  0.930  0.751  1.0
  O  O16  1  0.764  0.086  0.442  1.0
  O  O17  1  0.322  0.236  0.442  1.0
  O  O18  1  0.914  0.678  0.442  1.0
  O  O19  1  0.589  0.578  0.935  1.0
  O  O20  1  0.989  0.411  0.935  1.0
  O  O21  1  0.422  0.011  0.935  1.0
  O  O22  1  0.577  0.584  0.558  1.0
  O  O23  1  0.006  0.423  0.558  1.0
  O  O24  1  0.416  0.994  0.558  1.0
  O  O25  1  0.760  0.082  0.058  1.0
  O  O26  1  0.322  0.240  0.058  1.0
  O  O27  1  0.918  0.678  0.058  1.0
  O  O28  1  0.496  0.848  0.255  1.0
  O  O29  1  0.352  0.504  0.255  1.0
  O  O30  1  0.152  0.648  0.255  1.0
  O  O31  1  0.836  0.830  0.751  1.0
  O  O32  1  0.995  0.164  0.751  1.0
  O  O33  1  0.170  0.005  0.751  1.0
  O  O34  1  0.797  0.863  0.250  1.0
  O  O35  1  0.066  0.203  0.250  1.0
  O  O36  1  0.137  0.934  0.250  1.0
  O  O37  1  0.540  0.809  0.741  1.0
  O  O38  1  0.268  0.460  0.741  1.0
  O  O39  1  0.191  0.732  0.741  1.0
  O  O40  1  0.667  0.333  0.249  1.0
  O  O41  1  0.667  0.333  0.743  1.0
[/CIF]
.
The material described by LiY9(SiO4)6O2 crystallizes in the trigonal P3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(8) atoms. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the third Y site, Y(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(6), and three equivalent O(7) atoms. In the fourth Y site, Y(4) is bonded in a 9-coordinate geometry to three equivalent O(4), three equivalent O(6), and three equivalent O(7) atoms. In the fifth Y site, Y(5) is bonded in a 9-coordinate geometry to three equivalent O(3), three equivalent O(5), and three equivalent O(8) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. There are ten inequivalent O sites. In the first O site, O(7) is bonded to one Y(1), one Y(3), one Y(4), and one Si(1) atom to form distorted edge-sharing OY3Si tetrahedra. In the second O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Y(2), one Y(5), and one Si(2) atom. In the third O site, O(9) is bonded in a trigonal planar geometry to three equivalent Y(1) atoms. In the fourth O site, O(10) is bonded in a trigonal planar geometry to three equivalent Y(2) atoms. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(3), and one Si(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Si(2) atom. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(5), and one Si(2) atom. In the eighth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(4), and one Si(1) atom. In the ninth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Y(5), and one Si(1) atom. In the tenth O site, O(6) is bonded in a 3-coordinate geometry to one Y(2), one Y(3), one Y(4), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiY9(Si3O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.455
_cell_length_b   9.455
_cell_length_c   6.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   525.034
_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
  Li  Li0  1  0.333  0.667  0.024  1.0
  Y  Y1  1  0.904  0.335  0.249  1.0
  Y  Y2  1  0.431  0.096  0.249  1.0
  Y  Y3  1  0.665  0.569  0.249  1.0
  Y  Y4  1  0.434  0.336  0.752  1.0
  Y  Y5  1  0.902  0.566  0.752  1.0
  Y  Y6  1  0.664  0.098  0.752  1.0
  Y  Y7  1  0.000  0.000  0.503  1.0
  Y  Y8  1  0.000  0.000  0.999  1.0
  Y  Y9  1  0.333  0.667  0.499  1.0
  Si  Si10  1  0.693  0.961  0.251  1.0
  Si  Si11  1  0.268  0.307  0.251  1.0
  Si  Si12  1  0.039  0.732  0.251  1.0
  Si  Si13  1  0.637  0.707  0.751  1.0
  Si  Si14  1  0.070  0.363  0.751  1.0
  Si  Si15  1  0.293  0.930  0.751  1.0
  O  O16  1  0.764  0.086  0.442  1.0
  O  O17  1  0.322  0.236  0.442  1.0
  O  O18  1  0.914  0.678  0.442  1.0
  O  O19  1  0.589  0.578  0.935  1.0
  O  O20  1  0.989  0.411  0.935  1.0
  O  O21  1  0.422  0.011  0.935  1.0
  O  O22  1  0.577  0.584  0.558  1.0
  O  O23  1  0.006  0.423  0.558  1.0
  O  O24  1  0.416  0.994  0.558  1.0
  O  O25  1  0.760  0.082  0.058  1.0
  O  O26  1  0.322  0.240  0.058  1.0
  O  O27  1  0.918  0.678  0.058  1.0
  O  O28  1  0.496  0.848  0.255  1.0
  O  O29  1  0.352  0.504  0.255  1.0
  O  O30  1  0.152  0.648  0.255  1.0
  O  O31  1  0.836  0.830  0.751  1.0
  O  O32  1  0.995  0.164  0.751  1.0
  O  O33  1  0.170  0.005  0.751  1.0
  O  O34  1  0.797  0.863  0.250  1.0
  O  O35  1  0.066  0.203  0.250  1.0
  O  O36  1  0.137  0.934  0.250  1.0
  O  O37  1  0.540  0.809  0.741  1.0
  O  O38  1  0.268  0.460  0.741  1.0
  O  O39  1  0.191  0.732  0.741  1.0
  O  O40  1  0.667  0.333  0.249  1.0
  O  O41  1  0.667  0.333  0.743  1.0
[/CIF]
.