Ca2(Au3Zn)3 crystallizes in the orthorhombic C222 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. In the second Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. In the third Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. In the fourth Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(1); two equivalent Au(3); two equivalent Au(4); and two equivalent Zn(2) atoms. In the second Au site, Au(2) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(2); two equivalent Au(3); two equivalent Zn(1); and two equivalent Zn(3) atoms. In the third Au site, Au(2) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(2); two equivalent Au(3); two equivalent Zn(1); and two equivalent Zn(3) atoms. In the fourth Au site, Au(3) is bonded in a 11-coordinate geometry to three Ca(1,1); one Au(1); one Au(2); one Au(4); two equivalent Au(3); one Zn(1); one Zn(2); and one Zn(3) atom. In the fifth Au site, Au(4) is bonded in a linear geometry to four equivalent Au(1), four equivalent Au(3), and two equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to four Au(2,2); four equivalent Au(3); and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Au(4), four equivalent Au(1), and four equivalent Au(3) atoms. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four Au(2,2); four equivalent Au(3); and two equivalent Zn(1) atoms.
Ca2(Au3Zn)3 crystallizes in the orthorhombic C222 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. There is one shorter (2.99 Å) and two longer (3.22 Å) Ca(1)-Au(1) bond lengths. There is one shorter (2.97 Å) and two longer (3.38 Å) Ca(1)-Au(2,2) bond lengths. There are a spread of Ca(1)-Au(3) bond distances ranging from 2.99-3.33 Å. In the second Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. There is one shorter (2.99 Å) and two longer (3.22 Å) Ca(1)-Au(1) bond lengths. There is one shorter (2.97 Å) and two longer (3.38 Å) Ca(1)-Au(2,2) bond lengths. There are a spread of Ca(1)-Au(3) bond distances ranging from 2.99-3.33 Å. In the third Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. There is one shorter (2.99 Å) and two longer (3.22 Å) Ca(1)-Au(1) bond lengths. There is one shorter (2.97 Å) and two longer (3.38 Å) Ca(1)-Au(2,2) bond lengths. There are a spread of Ca(1)-Au(3) bond distances ranging from 2.99-3.33 Å. In the fourth Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1); three Au(2,2); and six equivalent Au(3) atoms. There is one shorter (2.99 Å) and two longer (3.22 Å) Ca(1)-Au(1) bond lengths. There is one shorter (2.97 Å) and two longer (3.38 Å) Ca(1)-Au(2,2) bond lengths. There are a spread of Ca(1)-Au(3) bond distances ranging from 2.99-3.33 Å. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(1); two equivalent Au(3); two equivalent Au(4); and two equivalent Zn(2) atoms. Both Au(1)-Au(1) bond lengths are 2.89 Å. Both Au(1)-Au(3) bond lengths are 2.81 Å. Both Au(1)-Au(4) bond lengths are 2.88 Å. Both Au(1)-Zn(2) bond lengths are 2.88 Å. In the second Au site, Au(2) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(2); two equivalent Au(3); two equivalent Zn(1); and two equivalent Zn(3) atoms. Both Au(2)-Au(2) bond lengths are 2.79 Å. Both Au(2)-Au(3) bond lengths are 2.78 Å. Both Au(2)-Zn(1) bond lengths are 2.85 Å. Both Au(2)-Zn(3) bond lengths are 2.85 Å. In the third Au site, Au(2) is bonded in a 11-coordinate geometry to three Ca(1,1); two equivalent Au(2); two equivalent Au(3); two equivalent Zn(1); and two equivalent Zn(3) atoms. Both Au(2)-Au(3) bond lengths are 2.78 Å. Both Au(2)-Zn(1) bond lengths are 2.85 Å. Both Au(2)-Zn(3) bond lengths are 2.85 Å. In the fourth Au site, Au(3) is bonded in a 11-coordinate geometry to three Ca(1,1); one Au(1); one Au(2); one Au(4); two equivalent Au(3); one Zn(1); one Zn(2); and one Zn(3) atom. The Au(3)-Au(4) bond length is 2.93 Å. There is one shorter (2.81 Å) and one longer (2.86 Å) Au(3)-Au(3) bond length. The Au(3)-Zn(1) bond length is 2.77 Å. The Au(3)-Zn(2) bond length is 2.92 Å. The Au(3)-Zn(3) bond length is 2.78 Å. In the fifth Au site, Au(4) is bonded in a linear geometry to four equivalent Au(1), four equivalent Au(3), and two equivalent Zn(2) atoms. Both Au(4)-Zn(2) bond lengths are 2.65 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to four Au(2,2); four equivalent Au(3); and two equivalent Zn(3) atoms. Both Zn(1)-Zn(3) bond lengths are 2.65 Å. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Au(4), four equivalent Au(1), and four equivalent Au(3) atoms. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to four Au(2,2); four equivalent Au(3); and two equivalent Zn(1) atoms.