Sc4MnSi7 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and four equivalent Si(6) atoms. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(4), and four equivalent Si(7) atoms. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. In the fourth Sc site, Sc(4) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(4), two equivalent Si(6), and four equivalent Si(5) atoms. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Sc(3), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted q6 geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Mn(1), and four equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(4) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Mn(1), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), and two equivalent Si(6) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), and two equivalent Si(5) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Sc(3), four equivalent Sc(2), and two equivalent Mn(1) atoms.
Sc4MnSi7 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 10-coordinate geometry to two equivalent Si(1), two equivalent Si(3), two equivalent Si(5), and four equivalent Si(6) atoms. Both Sc(1)-Si(1) bond lengths are 2.91 Å. Both Sc(1)-Si(3) bond lengths are 2.86 Å. Both Sc(1)-Si(5) bond lengths are 3.06 Å. All Sc(1)-Si(6) bond lengths are 2.78 Å. In the second Sc site, Sc(2) is bonded in a 8-coordinate geometry to two equivalent Si(2), two equivalent Si(4), and four equivalent Si(7) atoms. Both Sc(2)-Si(2) bond lengths are 2.82 Å. Both Sc(2)-Si(4) bond lengths are 2.87 Å. All Sc(2)-Si(7) bond lengths are 2.76 Å. In the third Sc site, Sc(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. All Sc(3)-Mn(1) bond lengths are 2.66 Å. Both Sc(3)-Si(1) bond lengths are 2.75 Å. Both Sc(3)-Si(3) bond lengths are 2.81 Å. Both Sc(3)-Si(7) bond lengths are 2.63 Å. In the fourth Sc site, Sc(4) is bonded in a 10-coordinate geometry to two equivalent Si(2), two equivalent Si(4), two equivalent Si(6), and four equivalent Si(5) atoms. Both Sc(4)-Si(2) bond lengths are 2.88 Å. Both Sc(4)-Si(4) bond lengths are 2.82 Å. Both Sc(4)-Si(6) bond lengths are 2.89 Å. All Sc(4)-Si(5) bond lengths are 2.73 Å. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Sc(3), two equivalent Si(1), two equivalent Si(3), and two equivalent Si(7) atoms. Both Mn(1)-Si(1) bond lengths are 2.69 Å. Both Mn(1)-Si(3) bond lengths are 2.63 Å. Both Mn(1)-Si(7) bond lengths are 2.69 Å. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted q6 geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Mn(1), and four equivalent Si(3) atoms. All Si(1)-Si(3) bond lengths are 2.66 Å. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(4) atoms. All Si(2)-Si(4) bond lengths are 2.66 Å. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), two equivalent Mn(1), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 8-coordinate geometry to two equivalent Sc(2), two equivalent Sc(4), and four equivalent Si(2) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), and two equivalent Si(6) atoms. Both Si(5)-Si(6) bond lengths are 2.41 Å. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), and two equivalent Si(5) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Sc(3), four equivalent Sc(2), and two equivalent Mn(1) atoms.