CsMg14Si is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Si(1) atoms to form CsMg10Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Si2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Si2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg10Si2 cuboctahedra, and faces with two equivalent Mg(1)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(5), two equivalent Mg(7), and one Si(1) atom. In the fourth Mg site, Mg(4) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 11-coordinate geometry to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Si(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Cs(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Si(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(5) atoms.
CsMg14Si is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Si(1) atoms to form CsMg10Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Cs(1)Mg10Si2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. Both Cs(1)-Mg(7) bond lengths are 3.38 Å. There are two shorter (3.28 Å) and two longer (3.29 Å) Cs(1)-Mg(3) bond lengths. All Cs(1)-Mg(5) bond lengths are 3.44 Å. Both Cs(1)-Si(1) bond lengths are 3.45 Å. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cs(1)Mg10Si2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)Mg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.40 Å. Both Mg(1)-Mg(6) bond lengths are 3.33 Å. There are two shorter (3.20 Å) and two longer (3.38 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.09 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg10Si2 cuboctahedra, and faces with two equivalent Mg(1)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.09 Å. There are two shorter (3.22 Å) and two longer (3.35 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.20 Å. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Mg(5), two equivalent Mg(7), and one Si(1) atom. Both Mg(3)-Mg(5) bond lengths are 3.19 Å. Both Mg(3)-Mg(7) bond lengths are 3.45 Å. The Mg(3)-Si(1) bond length is 2.78 Å. In the fourth Mg site, Mg(4) is bonded in a 11-coordinate geometry to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms. The Mg(4)-Mg(4) bond length is 3.23 Å. Both Mg(4)-Mg(5) bond lengths are 3.13 Å. Both Mg(4)-Mg(6) bond lengths are 3.34 Å. Both Mg(4)-Mg(7) bond lengths are 3.04 Å. In the fifth Mg site, Mg(5) is bonded in a 11-coordinate geometry to one Cs(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Si(1) atom. The Mg(5)-Mg(5) bond length is 3.16 Å. There is one shorter (3.22 Å) and one longer (3.39 Å) Mg(5)-Mg(6) bond length. There is one shorter (3.14 Å) and one longer (3.44 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Si(1) bond length is 3.17 Å. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(7), and four equivalent Mg(5) atoms. Both Mg(6)-Mg(7) bond lengths are 3.43 Å. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Cs(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Si(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(5) atoms.