Li2Ni5Si4O14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ni(5)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid,  an edgeedge with one Si(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(5)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid,  an edgeedge with one Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(14) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent O(13) and two equivalent O(9) atoms. In the third Ni site, Ni(3) is bonded to one O(1), one O(14), one O(7), and two equivalent O(3) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(5)O5 trigonal bipyramids,  an edgeedge with one Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. In the fourth Ni site, Ni(4) is bonded in a see-saw-like geometry to one O(2), one O(8), and two equivalent O(4) atoms. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(12), one O(14), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Ni(6)O5 trigonal bipyramid. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(5)O5 trigonal bipyramid. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids, corners with two equivalent Ni(5)O5 trigonal bipyramids, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(13), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Ni(6)O5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(5)O5 trigonal bipyramid, corners with two equivalent Ni(6)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid, corners with two equivalent Ni(5)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(3), and one Si(3) atom to form distorted OLi2SiNi trigonal pyramids that share  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(7)LiSiNi2 tetrahedra,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(9)LiSiNi2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(4), and one Si(4) atom to form OLi2SiNi trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(8)LiSiNi2 tetrahedra,  an edgeedge with one O(1)Li2SiNi trigonal pyramid, and  an edgeedge with one O(10)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(4) and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Si(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Ni(3), one Ni(5), and one Si(1) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(14)SiNi3 tetrahedra, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Ni(4), one Ni(6), and one Si(2) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(2)Li2SiNi trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Ni(2), one Ni(6), and one Si(3) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Ni(1), one Ni(5), and one Si(4) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(14)SiNi3 tetrahedra, and  an edgeedge with one O(2)Li2SiNi trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5), one Ni(6), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(5), one Ni(6), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(6), and one Si(2) atom. In the fourteenth O site, O(14) is bonded to one Ni(1), one Ni(3), one Ni(5), and one Si(1) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(7)LiSiNi2 tetrahedra, and  an edgeedge with one O(10)LiSiNi2 trigonal pyramid.
Li2Ni5Si4O14 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ni(5)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid,  an edgeedge with one Si(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 2.32 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(5) bond length is 2.13 Å. The Li(1)-O(7) bond length is 2.10 Å. The Li(1)-O(9) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(6), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(5)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid,  an edgeedge with one Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-O(10) bond length is 2.20 Å. The Li(2)-O(2) bond length is 2.18 Å. The Li(2)-O(6) bond length is 2.29 Å. The Li(2)-O(8) bond length is 2.18 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(14) atoms. Both Ni(1)-O(10) bond lengths are 1.96 Å. Both Ni(1)-O(14) bond lengths are 2.06 Å. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent O(13) and two equivalent O(9) atoms. Both Ni(2)-O(13) bond lengths are 2.01 Å. Both Ni(2)-O(9) bond lengths are 2.00 Å. In the third Ni site, Ni(3) is bonded to one O(1), one O(14), one O(7), and two equivalent O(3) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(5)O5 trigonal bipyramids,  an edgeedge with one Si(1)O4 tetrahedra,  an edgeedge with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. The Ni(3)-O(1) bond length is 1.96 Å. The Ni(3)-O(14) bond length is 2.18 Å. The Ni(3)-O(7) bond length is 2.06 Å. Both Ni(3)-O(3) bond lengths are 2.02 Å. In the fourth Ni site, Ni(4) is bonded in a see-saw-like geometry to one O(2), one O(8), and two equivalent O(4) atoms. The Ni(4)-O(2) bond length is 1.95 Å. The Ni(4)-O(8) bond length is 2.01 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Ni(4)-O(4) bond length. In the fifth Ni site, Ni(5) is bonded to one O(10), one O(11), one O(12), one O(14), and one O(7) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids, and  an edgeedge with one Ni(6)O5 trigonal bipyramid. The Ni(5)-O(10) bond length is 2.06 Å. The Ni(5)-O(11) bond length is 2.08 Å. The Ni(5)-O(12) bond length is 2.06 Å. The Ni(5)-O(14) bond length is 2.12 Å. The Ni(5)-O(7) bond length is 2.03 Å. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(12), one O(13), one O(8), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Si(4)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Ni(5)O5 trigonal bipyramid. The Ni(6)-O(11) bond length is 2.06 Å. The Ni(6)-O(12) bond length is 2.04 Å. The Ni(6)-O(13) bond length is 2.00 Å. The Ni(6)-O(8) bond length is 2.09 Å. The Ni(6)-O(9) bond length is 2.10 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Ni(3)O5 trigonal bipyramids, corners with two equivalent Ni(5)O5 trigonal bipyramids, and  an edgeedge with one Ni(3)O5 trigonal bipyramid. The Si(1)-O(14) bond length is 1.67 Å. The Si(1)-O(3) bond length is 1.62 Å. The Si(1)-O(6) bond length is 1.65 Å. The Si(1)-O(7) bond length is 1.65 Å. In the second Si site, Si(2) is bonded to one O(13), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Ni(6)O5 trigonal bipyramids. The Si(2)-O(13) bond length is 1.63 Å. The Si(2)-O(4) bond length is 1.64 Å. The Si(2)-O(5) bond length is 1.66 Å. The Si(2)-O(8) bond length is 1.66 Å. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Ni(3)O5 trigonal bipyramid,  a cornercorner with one Ni(5)O5 trigonal bipyramid, corners with two equivalent Ni(6)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Si(3)-O(1) bond length is 1.63 Å. The Si(3)-O(11) bond length is 1.64 Å. The Si(3)-O(5) bond length is 1.67 Å. The Si(3)-O(9) bond length is 1.65 Å. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Ni(6)O5 trigonal bipyramid, corners with two equivalent Ni(5)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Si(4)-O(10) bond length is 1.66 Å. The Si(4)-O(12) bond length is 1.63 Å. The Si(4)-O(2) bond length is 1.63 Å. The Si(4)-O(6) bond length is 1.68 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(3), and one Si(3) atom to form distorted OLi2SiNi trigonal pyramids that share  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(7)LiSiNi2 tetrahedra,  an edgeedge with one O(2)Li2SiNi trigonal pyramid, and  an edgeedge with one O(9)LiSiNi2 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(4), and one Si(4) atom to form OLi2SiNi trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(8)LiSiNi2 tetrahedra,  an edgeedge with one O(1)Li2SiNi trigonal pyramid, and  an edgeedge with one O(10)LiSiNi2 trigonal pyramid. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ni(3) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ni(4) and one Si(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Si(2), and one Si(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Si(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Ni(3), one Ni(5), and one Si(1) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid,  an edgeedge with one O(14)SiNi3 tetrahedra, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Ni(4), one Ni(6), and one Si(2) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(2)Li2SiNi trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Ni(2), one Ni(6), and one Si(3) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(2)Li2SiNi trigonal pyramid,  a cornercorner with one O(9)LiSiNi2 trigonal pyramid, and  an edgeedge with one O(1)Li2SiNi trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(2), one Ni(1), one Ni(5), and one Si(4) atom to form distorted OLiSiNi2 trigonal pyramids that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(8)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(14)SiNi3 tetrahedra, and  an edgeedge with one O(2)Li2SiNi trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ni(5), one Ni(6), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(5), one Ni(6), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(6), and one Si(2) atom. In the fourteenth O site, O(14) is bonded to one Ni(1), one Ni(3), one Ni(5), and one Si(1) atom to form distorted OSiNi3 tetrahedra that share  a cornercorner with one O(7)LiSiNi2 tetrahedra,  a cornercorner with one O(14)SiNi3 tetrahedra,  a cornercorner with one O(1)Li2SiNi trigonal pyramid,  a cornercorner with one O(10)LiSiNi2 trigonal pyramid,  an edgeedge with one O(7)LiSiNi2 tetrahedra, and  an edgeedge with one O(10)LiSiNi2 trigonal pyramid.