The material structure described by Li4SiO4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(23), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(12), one O(20), and one O(3) atom. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(11), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(12), one O(19), one O(2), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(22)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(5)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(20), one O(21), one O(3), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(23), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(22), one O(24), one O(5), and one O(9) atom. In the eighth Li site, Li(8) is bonded to one O(13), one O(17), one O(19), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(15), one O(16), one O(22), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(13)O4 trigonal pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(14), one O(18), one O(21), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(24)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  a cornercorner with one Li(13)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(1), one O(13), one O(16), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(19)O5 square pyramid. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(14), one O(17), one O(20), and one O(3) atom. In the thirteenth Li site, Li(13) is bonded to one O(15), one O(18), one O(24), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(24)O4 tetrahedra. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(1), one O(19), one O(2), one O(23), and one O(8) atom. In the fifteenth Li site, Li(15) is bonded in a 4-coordinate geometry to one O(14), one O(20), one O(21), and one O(7) atom. In the sixteenth Li site, Li(16) is bonded to one O(15), one O(22), one O(24), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(24)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Li(13)O4 trigonal pyramids, and corners with two equivalent Li(9)O4 trigonal pyramids. In the seventeenth Li site, Li(17) is bonded in a 4-coordinate geometry to one O(22), one O(5), one O(6), and one O(9) atom. In the eighteenth Li site, Li(18) is bonded in a 5-coordinate geometry to one O(20), one O(21), one O(3), one O(4), and one O(7) atom. In the nineteenth Li site, Li(19) is bonded to one O(1), one O(10), one O(16), one O(23), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. In the twentieth Li site, Li(20) is bonded in a 4-coordinate geometry to one O(12), one O(17), one O(19), one O(2), and one O(8) atom. In the twenty-first Li site, Li(21) is bonded to one O(10), one O(16), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(24)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, corners with two equivalent Li(9)O4 trigonal pyramids,  an edgeedge with one Li(19)O5 square pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the twenty-second Li site, Li(22) is bonded to one O(12), one O(17), one O(3), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the twenty-third Li site, Li(23) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(21), one O(4), and one O(7) atom. In the twenty-fourth Li site, Li(24) is bonded to one O(11), one O(18), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  an edgeedge with one Si(3)O4 tetrahedra, and  an edgeedge with one Li(13)O4 trigonal pyramid. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(10)O4 tetrahedra and  an edgeedge with one Li(22)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(13), one O(2), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(19)O5 square pyramid. In the third Si site, Si(3) is bonded to one O(15), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(13)O4 trigonal pyramids,  an edgeedge with one Li(21)O4 tetrahedra,  an edgeedge with one Li(24)O4 tetrahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(16), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Li(9)O4 trigonal pyramids, and  an edgeedge with one Li(19)O5 square pyramid. In the fifth Si site, Si(5) is bonded to one O(12), one O(17), one O(19), and one O(20) atom to form SiO4 tetrahedra that share corners with two equivalent Li(22)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(18), one O(21), and one O(24) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(24)O4 tetrahedra, and corners with two equivalent Li(13)O4 trigonal pyramids. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(19), and one Si(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(14), one Li(20), one Li(4), one Li(8), and one Si(2) atom. In the third O site, O(3) is bonded to one Li(12), one Li(18), one Li(2), one Li(22), one Li(5), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(12)Li4Si trigonal bipyramids, corners with two equivalent O(17)Li4Si trigonal bipyramids, and  an edgeedge with one O(14)Li3Si trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(18), one Li(23), one Li(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(13), one Li(17), one Li(24), one Li(3), one Li(7), and one Si(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(17), one Li(21), one Li(9), and one Si(3) atom to form OLi4Si trigonal bipyramids that share corners with two equivalent O(22)Li4Si trigonal bipyramids and  an edgeedge with one O(15)Li3Si tetrahedra. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(15), one Li(18), one Li(22), one Li(23), one Li(5), and one Si(1) atom. In the eighth O site, O(8) is bonded to one Li(14), one Li(19), one Li(20), one Li(4), one Li(6), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi5Si pentagonal pyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(16), one Li(17), one Li(21), one Li(24), one Li(7), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(19), one Li(21), one Li(6), and one Si(4) atom. In the eleventh O site, O(11) is bonded to one Li(23), one Li(24), one Li(3), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi3Si tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Li(20), one Li(22), one Li(4), and one Si(5) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(3)Li5Si octahedra,  a cornercorner with one O(17)Li4Si trigonal bipyramid,  an edgeedge with one O(8)Li5Si pentagonal pyramid, and  an edgeedge with one O(17)Li4Si trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-61°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Li(8), and one Si(2) atom. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(12), one Li(15), and one Si(1) atom to form distorted OLi3Si trigonal pyramids that share  a cornercorner with one O(17)Li4Si trigonal bipyramid,  a cornercorner with one O(18)Li4Si trigonal bipyramid, and  an edgeedge with one O(3)Li5Si octahedra. In the fifteenth O site, O(15) is bonded to one Li(13), one Li(16), one Li(9), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OLi3Si tetrahedra. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(11), one Li(19), one Li(21), one Li(9), and one Si(4) atom. In the seventeenth O site, O(17) is bonded to one Li(12), one Li(20), one Li(22), one Li(8), and one Si(5) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(3)Li5Si octahedra,  a cornercorner with one O(8)Li5Si pentagonal pyramid,  a cornercorner with one O(12)Li4Si trigonal bipyramid,  a cornercorner with one O(14)Li3Si trigonal pyramid, and  an edgeedge with one O(12)Li4Si trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-65°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(13), one Li(23), one Li(24), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi4Si trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(14), one Li(20), one Li(4), one Li(8), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a 6-coordinate geometry to one Li(12), one Li(15), one Li(18), one Li(2), one Li(5), and one Si(5) atom. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Li(10), one Li(15), one Li(18), one Li(23), one Li(5), and one Si(6) atom. In the twenty-second O site, O(22) is bonded to one Li(16), one Li(17), one Li(7), one Li(9), and one Si(4) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(15)Li3Si tetrahedra and corners with two equivalent O(6)Li4Si trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(19), one Li(6), and one Si(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(13), one Li(16), one Li(7), and one Si(6) atom. is represented by the CIF card [CIF]
data_Li4SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.533
_cell_length_c   18.260
_cell_angle_alpha   92.104
_cell_angle_beta   90.148
_cell_angle_gamma   90.366
_symmetry_Int_Tables_number   1
_cell_volume   533.318
_cell_formula_units_Z   6
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  0.186  0.987  0.905  1.0
  Li  Li1  1  0.116  0.897  0.545  1.0
  Li  Li2  1  0.190  0.969  0.235  1.0
  Li  Li3  1  0.368  0.843  0.673  1.0
  Li  Li4  1  0.483  0.820  0.418  1.0
  Li  Li5  1  0.517  0.685  0.799  1.0
  Li  Li6  1  0.465  0.831  0.094  1.0
  Li  Li7  1  0.785  0.169  0.663  1.0
  Li  Li8  1  0.655  0.169  0.984  1.0
  Li  Li9  1  0.782  0.158  0.316  1.0
  Li  Li10  1  0.792  0.184  0.839  1.0
  Li  Li11  1  0.653  0.153  0.506  1.0
  Li  Li12  1  0.758  0.168  0.169  1.0
  Li  Li13  1  0.966  0.864  0.749  1.0
  Li  Li14  1  0.820  0.556  0.423  1.0
  Li  Li15  1  0.831  0.592  0.089  1.0
  Li  Li16  1  0.024  0.952  0.059  1.0
  Li  Li17  1  0.025  0.911  0.398  1.0
  Li  Li18  1  0.067  0.547  0.845  1.0
  Li  Li19  1  0.082  0.493  0.646  1.0
  Li  Li20  1  0.145  0.468  0.966  1.0
  Li  Li21  1  0.137  0.411  0.524  1.0
  Li  Li22  1  0.088  0.526  0.311  1.0
  Li  Li23  1  0.131  0.466  0.189  1.0
  Si  Si24  1  0.318  0.282  0.403  1.0
  Si  Si25  1  0.303  0.292  0.748  1.0
  Si  Si26  1  0.332  0.301  0.078  1.0
  Si  Si27  1  0.670  0.683  0.927  1.0
  Si  Si28  1  0.653  0.661  0.578  1.0
  Si  Si29  1  0.655  0.671  0.251  1.0
  O  O30  1  0.163  0.190  0.820  1.0
  O  O31  1  0.180  0.148  0.675  1.0
  O  O32  1  0.242  0.110  0.473  1.0
  O  O33  1  0.179  0.158  0.331  1.0
  O  O34  1  0.207  0.139  0.143  1.0
  O  O35  1  0.260  0.157  1.000  1.0
  O  O36  1  0.194  0.556  0.418  1.0
  O  O37  1  0.220  0.589  0.743  1.0
  O  O38  1  0.200  0.571  0.080  1.0
  O  O39  1  0.367  0.672  0.906  1.0
  O  O40  1  0.345  0.656  0.251  1.0
  O  O41  1  0.340  0.641  0.580  1.0
  O  O42  1  0.610  0.283  0.752  1.0
  O  O43  1  0.626  0.282  0.405  1.0
  O  O44  1  0.638  0.311  0.084  1.0
  O  O45  1  0.806  0.417  0.924  1.0
  O  O46  1  0.801  0.397  0.575  1.0
  O  O47  1  0.808  0.411  0.244  1.0
  O  O48  1  0.738  0.814  0.653  1.0
  O  O49  1  0.748  0.805  0.504  1.0
  O  O50  1  0.755  0.791  0.333  1.0
  O  O51  1  0.729  0.822  0.007  1.0
  O  O52  1  0.805  0.826  0.857  1.0
  O  O53  1  0.747  0.828  0.180  1.0
[/CIF]
.
The material structure described by Li4SiO4 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(23), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(12), one O(20), and one O(3) atom. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(11), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(12), one O(19), one O(2), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(22)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(5)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(20), one O(21), one O(3), and one O(7) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(23), and one O(8) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(22), one O(24), one O(5), and one O(9) atom. In the eighth Li site, Li(8) is bonded to one O(13), one O(17), one O(19), and one O(2) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(22)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. In the ninth Li site, Li(9) is bonded to one O(15), one O(16), one O(22), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(13)O4 trigonal pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the tenth Li site, Li(10) is bonded to one O(14), one O(18), one O(21), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(24)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  a cornercorner with one Li(13)O4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one O(1), one O(13), one O(16), and one O(23) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(19)O5 square pyramid. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(14), one O(17), one O(20), and one O(3) atom. In the thirteenth Li site, Li(13) is bonded to one O(15), one O(18), one O(24), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(10)O4 tetrahedra, corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid, and  an edgeedge with one Li(24)O4 tetrahedra. In the fourteenth Li site, Li(14) is bonded in a 5-coordinate geometry to one O(1), one O(19), one O(2), one O(23), and one O(8) atom. In the fifteenth Li site, Li(15) is bonded in a 4-coordinate geometry to one O(14), one O(20), one O(21), and one O(7) atom. In the sixteenth Li site, Li(16) is bonded to one O(15), one O(22), one O(24), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(21)O4 tetrahedra,  a cornercorner with one Li(24)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Li(13)O4 trigonal pyramids, and corners with two equivalent Li(9)O4 trigonal pyramids. In the seventeenth Li site, Li(17) is bonded in a 4-coordinate geometry to one O(22), one O(5), one O(6), and one O(9) atom. In the eighteenth Li site, Li(18) is bonded in a 5-coordinate geometry to one O(20), one O(21), one O(3), one O(4), and one O(7) atom. In the nineteenth Li site, Li(19) is bonded to one O(1), one O(10), one O(16), one O(23), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(9)O4 trigonal pyramid,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(21)O4 tetrahedra,  an edgeedge with one Si(2)O4 tetrahedra, and  an edgeedge with one Si(4)O4 tetrahedra. In the twentieth Li site, Li(20) is bonded in a 4-coordinate geometry to one O(12), one O(17), one O(19), one O(2), and one O(8) atom. In the twenty-first Li site, Li(21) is bonded to one O(10), one O(16), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(24)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, corners with two equivalent Li(9)O4 trigonal pyramids,  an edgeedge with one Li(19)O5 square pyramid, and  an edgeedge with one Si(3)O4 tetrahedra. In the twenty-second Li site, Li(22) is bonded to one O(12), one O(17), one O(3), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the twenty-third Li site, Li(23) is bonded in a 5-coordinate geometry to one O(11), one O(18), one O(21), one O(4), and one O(7) atom. In the twenty-fourth Li site, Li(24) is bonded to one O(11), one O(18), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(16)O4 tetrahedra,  a cornercorner with one Li(21)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  an edgeedge with one Si(3)O4 tetrahedra, and  an edgeedge with one Li(13)O4 trigonal pyramid. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(10)O4 tetrahedra and  an edgeedge with one Li(22)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(13), one O(2), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(19)O5 square pyramid. In the third Si site, Si(3) is bonded to one O(15), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Li(16)O4 tetrahedra, corners with two equivalent Li(13)O4 trigonal pyramids,  an edgeedge with one Li(21)O4 tetrahedra,  an edgeedge with one Li(24)O4 tetrahedra, and  an edgeedge with one Li(9)O4 trigonal pyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(16), one O(22), and one O(23) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(19)O5 square pyramid,  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(21)O4 tetrahedra, corners with two equivalent Li(9)O4 trigonal pyramids, and  an edgeedge with one Li(19)O5 square pyramid. In the fifth Si site, Si(5) is bonded to one O(12), one O(17), one O(19), and one O(20) atom to form SiO4 tetrahedra that share corners with two equivalent Li(22)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(18), one O(21), and one O(24) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(16)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(24)O4 tetrahedra, and corners with two equivalent Li(13)O4 trigonal pyramids. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(19), and one Si(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(14), one Li(20), one Li(4), one Li(8), and one Si(2) atom. In the third O site, O(3) is bonded to one Li(12), one Li(18), one Li(2), one Li(22), one Li(5), and one Si(1) atom to form distorted OLi5Si octahedra that share corners with two equivalent O(12)Li4Si trigonal bipyramids, corners with two equivalent O(17)Li4Si trigonal bipyramids, and  an edgeedge with one O(14)Li3Si trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(10), one Li(18), one Li(23), one Li(3), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(13), one Li(17), one Li(24), one Li(3), one Li(7), and one Si(3) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(17), one Li(21), one Li(9), and one Si(3) atom to form OLi4Si trigonal bipyramids that share corners with two equivalent O(22)Li4Si trigonal bipyramids and  an edgeedge with one O(15)Li3Si tetrahedra. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(15), one Li(18), one Li(22), one Li(23), one Li(5), and one Si(1) atom. In the eighth O site, O(8) is bonded to one Li(14), one Li(19), one Li(20), one Li(4), one Li(6), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi5Si pentagonal pyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(16), one Li(17), one Li(21), one Li(24), one Li(7), and one Si(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(19), one Li(21), one Li(6), and one Si(4) atom. In the eleventh O site, O(11) is bonded to one Li(23), one Li(24), one Li(3), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi3Si tetrahedra. In the twelfth O site, O(12) is bonded to one Li(2), one Li(20), one Li(22), one Li(4), and one Si(5) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(3)Li5Si octahedra,  a cornercorner with one O(17)Li4Si trigonal bipyramid,  an edgeedge with one O(8)Li5Si pentagonal pyramid, and  an edgeedge with one O(17)Li4Si trigonal bipyramid. The corner-sharing octahedral tilt angles range from 51-61°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Li(8), and one Si(2) atom. In the fourteenth O site, O(14) is bonded to one Li(10), one Li(12), one Li(15), and one Si(1) atom to form distorted OLi3Si trigonal pyramids that share  a cornercorner with one O(17)Li4Si trigonal bipyramid,  a cornercorner with one O(18)Li4Si trigonal bipyramid, and  an edgeedge with one O(3)Li5Si octahedra. In the fifteenth O site, O(15) is bonded to one Li(13), one Li(16), one Li(9), and one Si(3) atom to form a mixture of distorted corner and edge-sharing OLi3Si tetrahedra. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Li(11), one Li(19), one Li(21), one Li(9), and one Si(4) atom. In the seventeenth O site, O(17) is bonded to one Li(12), one Li(20), one Li(22), one Li(8), and one Si(5) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(3)Li5Si octahedra,  a cornercorner with one O(8)Li5Si pentagonal pyramid,  a cornercorner with one O(12)Li4Si trigonal bipyramid,  a cornercorner with one O(14)Li3Si trigonal pyramid, and  an edgeedge with one O(12)Li4Si trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-65°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(13), one Li(23), one Li(24), and one Si(6) atom to form a mixture of distorted corner and edge-sharing OLi4Si trigonal bipyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(14), one Li(20), one Li(4), one Li(8), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a 6-coordinate geometry to one Li(12), one Li(15), one Li(18), one Li(2), one Li(5), and one Si(5) atom. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Li(10), one Li(15), one Li(18), one Li(23), one Li(5), and one Si(6) atom. In the twenty-second O site, O(22) is bonded to one Li(16), one Li(17), one Li(7), one Li(9), and one Si(4) atom to form distorted OLi4Si trigonal bipyramids that share corners with two equivalent O(15)Li3Si tetrahedra and corners with two equivalent O(6)Li4Si trigonal bipyramids. In the twenty-third O site, O(23) is bonded in a 6-coordinate geometry to one Li(1), one Li(11), one Li(14), one Li(19), one Li(6), and one Si(4) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(13), one Li(16), one Li(7), and one Si(6) atom. is represented by the CIF card [CIF]
data_Li4SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.282
_cell_length_b   5.533
_cell_length_c   18.260
_cell_angle_alpha   92.104
_cell_angle_beta   90.148
_cell_angle_gamma   90.366
_symmetry_Int_Tables_number   1
_cell_volume   533.318
_cell_formula_units_Z   6
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  0.186  0.987  0.905  1.0
  Li  Li1  1  0.116  0.897  0.545  1.0
  Li  Li2  1  0.190  0.969  0.235  1.0
  Li  Li3  1  0.368  0.843  0.673  1.0
  Li  Li4  1  0.483  0.820  0.418  1.0
  Li  Li5  1  0.517  0.685  0.799  1.0
  Li  Li6  1  0.465  0.831  0.094  1.0
  Li  Li7  1  0.785  0.169  0.663  1.0
  Li  Li8  1  0.655  0.169  0.984  1.0
  Li  Li9  1  0.782  0.158  0.316  1.0
  Li  Li10  1  0.792  0.184  0.839  1.0
  Li  Li11  1  0.653  0.153  0.506  1.0
  Li  Li12  1  0.758  0.168  0.169  1.0
  Li  Li13  1  0.966  0.864  0.749  1.0
  Li  Li14  1  0.820  0.556  0.423  1.0
  Li  Li15  1  0.831  0.592  0.089  1.0
  Li  Li16  1  0.024  0.952  0.059  1.0
  Li  Li17  1  0.025  0.911  0.398  1.0
  Li  Li18  1  0.067  0.547  0.845  1.0
  Li  Li19  1  0.082  0.493  0.646  1.0
  Li  Li20  1  0.145  0.468  0.966  1.0
  Li  Li21  1  0.137  0.411  0.524  1.0
  Li  Li22  1  0.088  0.526  0.311  1.0
  Li  Li23  1  0.131  0.466  0.189  1.0
  Si  Si24  1  0.318  0.282  0.403  1.0
  Si  Si25  1  0.303  0.292  0.748  1.0
  Si  Si26  1  0.332  0.301  0.078  1.0
  Si  Si27  1  0.670  0.683  0.927  1.0
  Si  Si28  1  0.653  0.661  0.578  1.0
  Si  Si29  1  0.655  0.671  0.251  1.0
  O  O30  1  0.163  0.190  0.820  1.0
  O  O31  1  0.180  0.148  0.675  1.0
  O  O32  1  0.242  0.110  0.473  1.0
  O  O33  1  0.179  0.158  0.331  1.0
  O  O34  1  0.207  0.139  0.143  1.0
  O  O35  1  0.260  0.157  1.000  1.0
  O  O36  1  0.194  0.556  0.418  1.0
  O  O37  1  0.220  0.589  0.743  1.0
  O  O38  1  0.200  0.571  0.080  1.0
  O  O39  1  0.367  0.672  0.906  1.0
  O  O40  1  0.345  0.656  0.251  1.0
  O  O41  1  0.340  0.641  0.580  1.0
  O  O42  1  0.610  0.283  0.752  1.0
  O  O43  1  0.626  0.282  0.405  1.0
  O  O44  1  0.638  0.311  0.084  1.0
  O  O45  1  0.806  0.417  0.924  1.0
  O  O46  1  0.801  0.397  0.575  1.0
  O  O47  1  0.808  0.411  0.244  1.0
  O  O48  1  0.738  0.814  0.653  1.0
  O  O49  1  0.748  0.805  0.504  1.0
  O  O50  1  0.755  0.791  0.333  1.0
  O  O51  1  0.729  0.822  0.007  1.0
  O  O52  1  0.805  0.826  0.857  1.0
  O  O53  1  0.747  0.828  0.180  1.0
[/CIF]
.