Nd6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. In the fifth Nd site, Nd(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. In the sixth Nd site, Nd(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. In the seventh Nd site, Nd(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Nd site, Nd(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. In the ninth Nd site, Nd(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the tenth Nd site, Nd(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(2), and two equivalent Si(3) atoms. In the eleventh Nd site, Nd(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. In the twelfth Nd site, Nd(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Nd(6), and two equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(8), two equivalent Nd(11), two equivalent Nd(12), two equivalent Nd(4), and one Si(2) atom. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nd(3), one Nd(9), two equivalent Nd(10), two equivalent Nd(12), two equivalent Nd(5), and one Si(2) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(7), two equivalent Nd(8), two equivalent Nd(9), one Si(4), one Si(5), and one Si(6) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(12), one Ni(2), one Ni(3), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(7), two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(6), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(11), one Nd(5), two equivalent Nd(1), two equivalent Nd(8), two equivalent Nd(9), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Nd(12), one Nd(6), two equivalent Nd(2), two equivalent Nd(7), two equivalent Nd(9), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Nd(10), one Nd(4), two equivalent Nd(3), two equivalent Nd(7), two equivalent Nd(8), and one Si(1) atom.
Nd6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. Both Nd(1)-Ni(1) bond lengths are 2.97 Å. The Nd(1)-Si(3) bond length is 3.14 Å. Both Nd(1)-Si(4) bond lengths are 3.10 Å. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. The Nd(2)-Ni(2) bond length is 3.01 Å. Both Nd(2)-Ni(1) bond lengths are 2.97 Å. Both Nd(2)-Si(5) bond lengths are 3.14 Å. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. The Nd(3)-Ni(3) bond length is 3.06 Å. Both Nd(3)-Ni(1) bond lengths are 2.95 Å. Both Nd(3)-Si(6) bond lengths are 3.14 Å. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. Both Nd(4)-Ni(1) bond lengths are 2.97 Å. Both Nd(4)-Ni(2) bond lengths are 3.09 Å. The Nd(4)-Si(6) bond length is 3.12 Å. In the fifth Nd site, Nd(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. Both Nd(5)-Ni(1) bond lengths are 2.98 Å. Both Nd(5)-Ni(3) bond lengths are 3.06 Å. The Nd(5)-Si(4) bond length is 3.13 Å. In the sixth Nd site, Nd(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. Both Nd(6)-Ni(1) bond lengths are 2.97 Å. The Nd(6)-Si(5) bond length is 3.11 Å. Both Nd(6)-Si(3) bond lengths are 3.11 Å. In the seventh Nd site, Nd(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. The Nd(7)-Si(3) bond length is 3.13 Å. Both Nd(7)-Si(1) bond lengths are 3.05 Å. Both Nd(7)-Si(5) bond lengths are 3.21 Å. Both Nd(7)-Si(6) bond lengths are 3.17 Å. In the eighth Nd site, Nd(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. The Nd(8)-Ni(2) bond length is 3.14 Å. Both Nd(8)-Si(1) bond lengths are 3.08 Å. Both Nd(8)-Si(4) bond lengths are 3.17 Å. Both Nd(8)-Si(6) bond lengths are 3.25 Å. In the ninth Nd site, Nd(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. The Nd(9)-Ni(3) bond length is 3.10 Å. Both Nd(9)-Si(1) bond lengths are 3.08 Å. Both Nd(9)-Si(4) bond lengths are 3.24 Å. Both Nd(9)-Si(5) bond lengths are 3.18 Å. In the tenth Nd site, Nd(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(2), and two equivalent Si(3) atoms. Both Nd(10)-Ni(3) bond lengths are 3.30 Å. The Nd(10)-Si(6) bond length is 3.09 Å. Both Nd(10)-Si(2) bond lengths are 3.09 Å. Both Nd(10)-Si(3) bond lengths are 3.16 Å. In the eleventh Nd site, Nd(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. Both Nd(11)-Ni(2) bond lengths are 3.19 Å. The Nd(11)-Si(4) bond length is 3.12 Å. Both Nd(11)-Si(2) bond lengths are 3.09 Å. Both Nd(11)-Si(3) bond lengths are 3.26 Å. In the twelfth Nd site, Nd(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(2) atoms. Both Nd(12)-Ni(2) bond lengths are 3.27 Å. Both Nd(12)-Ni(3) bond lengths are 3.10 Å. The Nd(12)-Si(5) bond length is 3.18 Å. Both Nd(12)-Si(2) bond lengths are 3.02 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Nd(6), and two equivalent Ni(1) atoms. There is one shorter (2.24 Å) and one longer (2.26 Å) Ni(1)-Ni(1) bond length. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(8), two equivalent Nd(11), two equivalent Nd(12), two equivalent Nd(4), and one Si(2) atom. The Ni(2)-Si(2) bond length is 2.42 Å. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nd(3), one Nd(9), two equivalent Nd(10), two equivalent Nd(12), two equivalent Nd(5), and one Si(2) atom. The Ni(3)-Si(2) bond length is 2.43 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(7), two equivalent Nd(8), two equivalent Nd(9), one Si(4), one Si(5), and one Si(6) atom. The Si(1)-Si(4) bond length is 2.42 Å. The Si(1)-Si(5) bond length is 2.44 Å. The Si(1)-Si(6) bond length is 2.43 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(12), one Ni(2), one Ni(3), and one Si(3) atom. The Si(2)-Si(3) bond length is 2.51 Å. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(7), two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(6), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(11), one Nd(5), two equivalent Nd(1), two equivalent Nd(8), two equivalent Nd(9), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Nd(12), one Nd(6), two equivalent Nd(2), two equivalent Nd(7), two equivalent Nd(9), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Nd(10), one Nd(4), two equivalent Nd(3), two equivalent Nd(7), two equivalent Nd(8), and one Si(1) atom.