The material structure described by Li10Si(PO6)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(18), one O(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(12), one O(19), one O(2), and one O(20) atom. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(21), one O(22), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(15), one O(16), one O(23), one O(24), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(20), one O(24), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(14)O4 trigonal pyramids,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(13), one O(19), one O(2), and one O(23) atom. In the seventh Li site, Li(7) is bonded to one O(15), one O(17), one O(22), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(2), one O(20), and one O(24) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(14), one O(19), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-71°. In the tenth Li site, Li(10) is bonded to one O(11), one O(21), one O(22), one O(3), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(20)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-48°. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(20), and one O(24) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(21), and one O(4) atom. In the thirteenth Li site, Li(13) is bonded in a 4-coordinate geometry to one O(10), one O(15), one O(3), and one O(5) atom. In the fourteenth Li site, Li(14) is bonded to one O(19), one O(23), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fifteenth Li site, Li(15) is bonded to one O(12), one O(17), one O(22), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid, corners with two equivalent Li(7)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the sixteenth Li site, Li(16) is bonded in a rectangular see-saw-like geometry to one O(15), one O(18), one O(3), and one O(9) atom. In the seventeenth Li site, Li(17) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(4), and one O(5) atom. In the eighteenth Li site, Li(18) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(2), and one O(7) atom. In the nineteenth Li site, Li(19) is bonded in a 4-coordinate geometry to one O(12), one O(18), one O(21), and one O(8) atom. In the twentieth Li site, Li(20) is bonded to one O(11), one O(18), one O(21), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(10)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(19), one O(20), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(15), one O(16), one O(21), and one O(22) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-41°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O4 trigonal pyramid, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-40°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(17), and one O(18) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(20)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O4 trigonal pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(9), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(18), one Li(2), one Li(6), one Li(8), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(16), and one P(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(12), one Li(17), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(13), one Li(17), one Li(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(14), one Li(4), one Li(5), and one P(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(18), one Li(20), one Li(3), one Li(7), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(15), one Li(19), one Li(3), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(14), one Li(16), one Li(5), and one Si(1) atom to form distorted OLi4Si trigonal bipyramids that share  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(19)Li4Si trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(17), one Li(8), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(10), one Li(18), one Li(20), and one P(3) atom. In the twelfth O site, O(12) is bonded to one Li(15), one Li(19), one Li(2), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid, and  an edgeedge with one O(17)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(18), one Li(3), one Li(6), one Li(8), and one P(4) atom to form distorted OLi4P trigonal bipyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid,  an edgeedge with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(14)Li3P trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(11), one Li(3), one Li(9), and one P(4) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid,  an edgeedge with one O(13)Li4P trigonal bipyramid, and  an edgeedge with one O(23)Li4P trigonal bipyramid. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(13), one Li(16), one Li(4), one Li(7), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(12), one Li(17), one Li(4), and one Si(2) atom. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(15), one Li(7), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(9)Li4Si trigonal bipyramid, corners with two equivalent O(22)Li4Si trigonal bipyramids, and  an edgeedge with one O(12)Li3P trigonal pyramid. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(16), one Li(19), one Li(20), and one P(3) atom. In the nineteenth O site, O(19) is bonded to one Li(14), one Li(2), one Li(6), one Li(9), and one Si(1) atom to form distorted OLi4Si trigonal bipyramids that share  a cornercorner with one O(13)Li4P trigonal bipyramid,  a cornercorner with one O(23)Li4P trigonal bipyramid,  a cornercorner with one O(12)Li3P trigonal pyramid,  a cornercorner with one O(14)Li3P trigonal pyramid,  an edgeedge with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(9)Li4Si trigonal bipyramid. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(11), one Li(2), one Li(5), one Li(8), and one Si(1) atom. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(19), one Li(20), one Li(3), and one Si(2) atom. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(15), one Li(3), one Li(7), and one Si(2) atom to form OLi4Si trigonal bipyramids that share corners with two equivalent O(17)Li3P tetrahedra,  a cornercorner with one O(13)Li4P trigonal bipyramid,  a cornercorner with one O(12)Li3P trigonal pyramid, and  a cornercorner with one O(14)Li3P trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Li(14), one Li(4), one Li(6), one Li(9), and one P(4) atom to form distorted OLi4P trigonal bipyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(9)Li4Si trigonal bipyramid,  an edgeedge with one O(13)Li4P trigonal bipyramid,  an edgeedge with one O(19)Li4Si trigonal bipyramid, and  an edgeedge with one O(14)Li3P trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Li(11), one Li(4), one Li(5), one Li(8), and one P(4) atom. is represented by the CIF file [CIF]
data_Li10Si(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   7.000
_cell_length_c   10.654
_cell_angle_alpha   90.899
_cell_angle_beta   90.283
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   521.675
_cell_formula_units_Z   2
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  0.986  0.481  0.064  1.0
  Li  Li1  1  0.952  0.481  0.575  1.0
  Li  Li2  1  0.525  0.042  0.439  1.0
  Li  Li3  1  0.491  0.991  0.941  1.0
  Li  Li4  1  0.264  0.729  0.845  1.0
  Li  Li5  1  0.732  0.266  0.719  1.0
  Li  Li6  1  0.201  0.168  0.254  1.0
  Li  Li7  1  0.217  0.243  0.747  1.0
  Li  Li8  1  0.754  0.760  0.644  1.0
  Li  Li9  1  0.455  0.475  0.255  1.0
  Li  Li10  1  0.231  0.736  0.621  1.0
  Li  Li11  1  0.758  0.751  0.136  1.0
  Li  Li12  1  0.222  0.222  0.001  1.0
  Li  Li13  1  0.746  0.758  0.873  1.0
  Li  Li14  1  0.762  0.253  0.309  1.0
  Li  Li15  1  0.183  0.764  0.082  1.0
  Li  Li16  1  0.773  0.215  0.994  1.0
  Li  Li17  1  0.278  0.302  0.509  1.0
  Li  Li18  1  0.753  0.780  0.371  1.0
  Li  Li19  1  0.263  0.794  0.348  1.0
  Si  Si20  1  0.997  0.510  0.824  1.0
  Si  Si21  1  0.505  0.010  0.185  1.0
  P  P22  1  0.996  0.034  0.501  1.0
  P  P23  1  0.495  0.490  0.005  1.0
  P  P24  1  0.014  0.516  0.314  1.0
  P  P25  1  0.486  0.996  0.686  1.0
  O  O26  1  0.992  0.837  0.566  1.0
  O  O27  1  0.009  0.207  0.594  1.0
  O  O28  1  0.315  0.490  0.092  1.0
  O  O29  1  0.682  0.488  0.087  1.0
  O  O30  1  0.489  0.305  0.923  1.0
  O  O31  1  0.494  0.680  0.931  1.0
  O  O32  1  0.178  0.045  0.417  1.0
  O  O33  1  0.810  0.045  0.421  1.0
  O  O34  1  0.011  0.684  0.931  1.0
  O  O35  1  0.002  0.306  0.901  1.0
  O  O36  1  0.206  0.515  0.390  1.0
  O  O37  1  0.838  0.512  0.403  1.0
  O  O38  1  0.476  0.194  0.622  1.0
  O  O39  1  0.492  0.836  0.583  1.0
  O  O40  1  0.300  0.011  0.105  1.0
  O  O41  1  0.683  0.002  0.086  1.0
  O  O42  1  0.998  0.339  0.225  1.0
  O  O43  1  0.005  0.703  0.236  1.0
  O  O44  1  0.804  0.534  0.737  1.0
  O  O45  1  0.179  0.525  0.727  1.0
  O  O46  1  0.520  0.817  0.275  1.0
  O  O47  1  0.497  0.199  0.281  1.0
  O  O48  1  0.671  0.983  0.768  1.0
  O  O49  1  0.309  0.971  0.772  1.0
[/CIF]
.
The material structure described by Li10Si(PO6)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(17), one O(18), one O(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(12), one O(19), one O(2), and one O(20) atom. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(21), one O(22), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids,  an edgeedge with one Li(15)O4 tetrahedra,  an edgeedge with one Li(20)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(15), one O(16), one O(23), one O(24), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(20), one O(24), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(14)O4 trigonal pyramids,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(13), one O(19), one O(2), and one O(23) atom. In the seventh Li site, Li(7) is bonded to one O(15), one O(17), one O(22), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(15)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(2), one O(20), and one O(24) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(14), one O(19), and one O(23) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-71°. In the tenth Li site, Li(10) is bonded to one O(11), one O(21), one O(22), one O(3), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(20)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-48°. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(20), and one O(24) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(16), one O(18), one O(21), and one O(4) atom. In the thirteenth Li site, Li(13) is bonded in a 4-coordinate geometry to one O(10), one O(15), one O(3), and one O(5) atom. In the fourteenth Li site, Li(14) is bonded to one O(19), one O(23), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the fifteenth Li site, Li(15) is bonded to one O(12), one O(17), one O(22), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid, corners with two equivalent Li(7)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the sixteenth Li site, Li(16) is bonded in a rectangular see-saw-like geometry to one O(15), one O(18), one O(3), and one O(9) atom. In the seventeenth Li site, Li(17) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(4), and one O(5) atom. In the eighteenth Li site, Li(18) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(2), and one O(7) atom. In the nineteenth Li site, Li(19) is bonded in a 4-coordinate geometry to one O(12), one O(18), one O(21), and one O(8) atom. In the twentieth Li site, Li(20) is bonded to one O(11), one O(18), one O(21), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(10)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(19), one O(20), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(14)O4 trigonal pyramid. In the second Si site, Si(2) is bonded to one O(15), one O(16), one O(21), and one O(22) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra, corners with two equivalent Li(10)O5 trigonal bipyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(7)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(15)O4 tetrahedra,  a cornercorner with one Li(20)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, and  a cornercorner with one Li(7)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 39-41°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O4 trigonal pyramid, and  an edgeedge with one Li(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-40°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(17), and one O(18) atom to form PO4 tetrahedra that share  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(7)O4 trigonal pyramid,  an edgeedge with one Li(15)O4 tetrahedra, and  an edgeedge with one Li(20)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(23), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(14)O4 trigonal pyramid,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(11), one Li(9), and one P(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(18), one Li(2), one Li(6), one Li(8), and one P(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(13), one Li(16), and one P(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(12), one Li(17), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(13), one Li(17), one Li(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(14), one Li(4), one Li(5), and one P(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(18), one Li(20), one Li(3), one Li(7), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(15), one Li(19), one Li(3), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(14), one Li(16), one Li(5), and one Si(1) atom to form distorted OLi4Si trigonal bipyramids that share  a cornercorner with one O(17)Li3P tetrahedra,  a cornercorner with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(19)Li4Si trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(17), one Li(8), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(10), one Li(18), one Li(20), and one P(3) atom. In the twelfth O site, O(12) is bonded to one Li(15), one Li(19), one Li(2), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid, and  an edgeedge with one O(17)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(18), one Li(3), one Li(6), one Li(8), and one P(4) atom to form distorted OLi4P trigonal bipyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid,  an edgeedge with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(14)Li3P trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(11), one Li(3), one Li(9), and one P(4) atom to form OLi3P trigonal pyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(22)Li4Si trigonal bipyramid,  an edgeedge with one O(13)Li4P trigonal bipyramid, and  an edgeedge with one O(23)Li4P trigonal bipyramid. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(13), one Li(16), one Li(4), one Li(7), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(12), one Li(17), one Li(4), and one Si(2) atom. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(15), one Li(7), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(9)Li4Si trigonal bipyramid, corners with two equivalent O(22)Li4Si trigonal bipyramids, and  an edgeedge with one O(12)Li3P trigonal pyramid. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Li(1), one Li(12), one Li(16), one Li(19), one Li(20), and one P(3) atom. In the nineteenth O site, O(19) is bonded to one Li(14), one Li(2), one Li(6), one Li(9), and one Si(1) atom to form distorted OLi4Si trigonal bipyramids that share  a cornercorner with one O(13)Li4P trigonal bipyramid,  a cornercorner with one O(23)Li4P trigonal bipyramid,  a cornercorner with one O(12)Li3P trigonal pyramid,  a cornercorner with one O(14)Li3P trigonal pyramid,  an edgeedge with one O(23)Li4P trigonal bipyramid, and  an edgeedge with one O(9)Li4Si trigonal bipyramid. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Li(11), one Li(2), one Li(5), one Li(8), and one Si(1) atom. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Li(10), one Li(12), one Li(19), one Li(20), one Li(3), and one Si(2) atom. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(15), one Li(3), one Li(7), and one Si(2) atom to form OLi4Si trigonal bipyramids that share corners with two equivalent O(17)Li3P tetrahedra,  a cornercorner with one O(13)Li4P trigonal bipyramid,  a cornercorner with one O(12)Li3P trigonal pyramid, and  a cornercorner with one O(14)Li3P trigonal pyramid. In the twenty-third O site, O(23) is bonded to one Li(14), one Li(4), one Li(6), one Li(9), and one P(4) atom to form distorted OLi4P trigonal bipyramids that share  a cornercorner with one O(19)Li4Si trigonal bipyramid,  a cornercorner with one O(9)Li4Si trigonal bipyramid,  an edgeedge with one O(13)Li4P trigonal bipyramid,  an edgeedge with one O(19)Li4Si trigonal bipyramid, and  an edgeedge with one O(14)Li3P trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Li(11), one Li(4), one Li(5), one Li(8), and one P(4) atom. is represented by the CIF file [CIF]
data_Li10Si(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   7.000
_cell_length_c   10.654
_cell_angle_alpha   90.899
_cell_angle_beta   90.283
_cell_angle_gamma   90.115
_symmetry_Int_Tables_number   1
_cell_volume   521.675
_cell_formula_units_Z   2
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  0.986  0.481  0.064  1.0
  Li  Li1  1  0.952  0.481  0.575  1.0
  Li  Li2  1  0.525  0.042  0.439  1.0
  Li  Li3  1  0.491  0.991  0.941  1.0
  Li  Li4  1  0.264  0.729  0.845  1.0
  Li  Li5  1  0.732  0.266  0.719  1.0
  Li  Li6  1  0.201  0.168  0.254  1.0
  Li  Li7  1  0.217  0.243  0.747  1.0
  Li  Li8  1  0.754  0.760  0.644  1.0
  Li  Li9  1  0.455  0.475  0.255  1.0
  Li  Li10  1  0.231  0.736  0.621  1.0
  Li  Li11  1  0.758  0.751  0.136  1.0
  Li  Li12  1  0.222  0.222  0.001  1.0
  Li  Li13  1  0.746  0.758  0.873  1.0
  Li  Li14  1  0.762  0.253  0.309  1.0
  Li  Li15  1  0.183  0.764  0.082  1.0
  Li  Li16  1  0.773  0.215  0.994  1.0
  Li  Li17  1  0.278  0.302  0.509  1.0
  Li  Li18  1  0.753  0.780  0.371  1.0
  Li  Li19  1  0.263  0.794  0.348  1.0
  Si  Si20  1  0.997  0.510  0.824  1.0
  Si  Si21  1  0.505  0.010  0.185  1.0
  P  P22  1  0.996  0.034  0.501  1.0
  P  P23  1  0.495  0.490  0.005  1.0
  P  P24  1  0.014  0.516  0.314  1.0
  P  P25  1  0.486  0.996  0.686  1.0
  O  O26  1  0.992  0.837  0.566  1.0
  O  O27  1  0.009  0.207  0.594  1.0
  O  O28  1  0.315  0.490  0.092  1.0
  O  O29  1  0.682  0.488  0.087  1.0
  O  O30  1  0.489  0.305  0.923  1.0
  O  O31  1  0.494  0.680  0.931  1.0
  O  O32  1  0.178  0.045  0.417  1.0
  O  O33  1  0.810  0.045  0.421  1.0
  O  O34  1  0.011  0.684  0.931  1.0
  O  O35  1  0.002  0.306  0.901  1.0
  O  O36  1  0.206  0.515  0.390  1.0
  O  O37  1  0.838  0.512  0.403  1.0
  O  O38  1  0.476  0.194  0.622  1.0
  O  O39  1  0.492  0.836  0.583  1.0
  O  O40  1  0.300  0.011  0.105  1.0
  O  O41  1  0.683  0.002  0.086  1.0
  O  O42  1  0.998  0.339  0.225  1.0
  O  O43  1  0.005  0.703  0.236  1.0
  O  O44  1  0.804  0.534  0.737  1.0
  O  O45  1  0.179  0.525  0.727  1.0
  O  O46  1  0.520  0.817  0.275  1.0
  O  O47  1  0.497  0.199  0.281  1.0
  O  O48  1  0.671  0.983  0.768  1.0
  O  O49  1  0.309  0.971  0.772  1.0
[/CIF]
.