CaMg6V is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent V(1) atoms to form CaMg10V2 cuboctahedra that share corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with six equivalent Ca(1)Mg10V2 cuboctahedra; corners with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Mg(4)Mg10V2 cuboctahedra. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. In the fifth Mg site, Mg(3) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(2,2,2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra; corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(4)Mg10V2 cuboctahedra; edges with four equivalent Ca(1)Mg10V2 cuboctahedra; edges with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent V(1)Ca2Mg10 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2,2); and two equivalent V(1) atoms to form distorted MgMg10V2 cuboctahedra that share corners with four equivalent Mg(3)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg10V2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent V(1)Ca2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Ca(1)Mg10V2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. In the eighth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. V(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(2,2) atoms to form VCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with six equivalent V(1)Ca2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra.
CaMg6V is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(3); four Mg(1,1,1); four Mg(2,2); and two equivalent V(1) atoms to form CaMg10V2 cuboctahedra that share corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with six equivalent Ca(1)Mg10V2 cuboctahedra; corners with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Mg(4)Mg10V2 cuboctahedra. Both Ca(1)-Mg(3) bond lengths are 3.24 Å. There are two shorter (3.22 Å) and two longer (3.25 Å) Ca(1)-Mg(1,1,1) bond lengths. All Ca(1)-Mg(2,2) bond lengths are 3.26 Å. Both Ca(1)-V(1) bond lengths are 3.26 Å. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. There is one shorter (3.24 Å) and one longer (3.29 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 3.20 Å. Both Mg(1)-Mg(4) bond lengths are 3.25 Å. There is one shorter (3.21 Å) and one longer (3.27 Å) Mg(1)-V(1) bond length. In the second Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 3.20 Å. Both Mg(1)-Mg(4) bond lengths are 3.25 Å. There is one shorter (3.21 Å) and one longer (3.27 Å) Mg(1)-V(1) bond length. In the third Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. Both Mg(2)-Ca(1) bond lengths are 3.26 Å. There is one shorter (3.06 Å) and one longer (3.46 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.17 Å) and one longer (3.31 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.11 Å) and one longer (3.37 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-V(1) bond lengths are 3.16 Å. In the fourth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. There is one shorter (3.17 Å) and one longer (3.31 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.11 Å) and one longer (3.37 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-V(1) bond lengths are 3.16 Å. In the fifth Mg site, Mg(3) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(2,2,2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Mg10V2 cuboctahedra; corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(4)Mg10V2 cuboctahedra; edges with four equivalent Ca(1)Mg10V2 cuboctahedra; edges with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent V(1)Ca2Mg10 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.26 Å. The Mg(3)-Mg(2) bond length is 3.31 Å. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four Mg(2,2,2); and two equivalent V(1) atoms to form distorted MgMg10V2 cuboctahedra that share corners with four equivalent Mg(3)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg10V2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent V(1)Ca2Mg10 cuboctahedra; edges with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Ca(1)Mg10V2 cuboctahedra. Both Mg(4)-Mg(1) bond lengths are 3.25 Å. The Mg(4)-Mg(2) bond length is 3.37 Å. Both Mg(4)-V(1) bond lengths are 3.18 Å. In the seventh Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms to form distorted MgCa2Mg8V2 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with four equivalent V(1)Ca2Mg10 cuboctahedra; corners with ten Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with two equivalent Mg(1)Ca2Mg8V2 cuboctahedra; edges with two equivalent V(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; and faces with four Mg(1,1)Ca2Mg8V2 cuboctahedra. There is one shorter (3.24 Å) and one longer (3.29 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 3.20 Å. There is one shorter (3.21 Å) and one longer (3.27 Å) Mg(1)-V(1) bond length. In the eighth Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent V(1) atoms. Both Mg(2)-Mg(1) bond lengths are 3.21 Å. There is one shorter (3.06 Å) and one longer (3.46 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-V(1) bond lengths are 3.16 Å. V(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(2,2) atoms to form VCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg10V2 cuboctahedra; corners with six equivalent V(1)Ca2Mg10 cuboctahedra; corners with eight Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with two equivalent Ca(1)Mg10V2 cuboctahedra; edges with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; edges with four equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent Ca(1)Mg10V2 cuboctahedra; faces with two equivalent Mg(4)Mg10V2 cuboctahedra; faces with two equivalent V(1)Ca2Mg10 cuboctahedra; faces with four Mg(1,1,1)Ca2Mg8V2 cuboctahedra; and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra.