ZrTiAu crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(2), three equivalent Au(1), and four equivalent Au(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); one Ti(1); two equivalent Ti(3); four equivalent Ti(2); two equivalent Au(2); and three equivalent Au(1) atoms. In the third Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(2), three equivalent Au(1), and four equivalent Au(2) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Au(1), and four equivalent Au(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted water-like geometry to two Zr(1,1); four equivalent Zr(2); and two equivalent Au(1) atoms. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to two Zr(1,1); four equivalent Zr(2); and two equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 12-coordinate geometry to three Zr(1,1); three equivalent Zr(2); one Ti(1); one Ti(3); two equivalent Ti(2); and two equivalent Au(2) atoms. In the second Au site, Au(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2); four Zr(1,1); two equivalent Ti(1); two equivalent Au(1); and two equivalent Au(2) atoms.
ZrTiAu crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(2), three equivalent Au(1), and four equivalent Au(2) atoms. The Zr(1)-Zr(1) bond length is 3.29 Å. There are two shorter (3.38 Å) and one longer (3.39 Å) Zr(1)-Zr(2) bond length. The Zr(1)-Ti(3) bond length is 3.05 Å. Both Zr(1)-Ti(1) bond lengths are 3.25 Å. Both Zr(1)-Ti(2) bond lengths are 3.17 Å. There is one shorter (3.15 Å) and two longer (3.28 Å) Zr(1)-Au(1) bond lengths. There are two shorter (3.05 Å) and two longer (3.34 Å) Zr(1)-Au(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); one Ti(1); two equivalent Ti(3); four equivalent Ti(2); two equivalent Au(2); and three equivalent Au(1) atoms. The Zr(2)-Zr(2) bond length is 3.21 Å. Both Zr(2)-Zr(1) bond lengths are 3.38 Å. The Zr(2)-Ti(1) bond length is 3.25 Å. Both Zr(2)-Ti(3) bond lengths are 3.23 Å. There are two shorter (3.14 Å) and two longer (3.20 Å) Zr(2)-Ti(2) bond lengths. Both Zr(2)-Au(2) bond lengths are 3.15 Å. There is one shorter (3.16 Å) and two longer (3.26 Å) Zr(2)-Au(1) bond lengths. In the third Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(2), three equivalent Au(1), and four equivalent Au(2) atoms. The Zr(1)-Ti(3) bond length is 3.05 Å. Both Zr(1)-Ti(1) bond lengths are 3.25 Å. Both Zr(1)-Ti(2) bond lengths are 3.17 Å. There is one shorter (3.15 Å) and two longer (3.28 Å) Zr(1)-Au(1) bond lengths. There are two shorter (3.05 Å) and two longer (3.34 Å) Zr(1)-Au(2) bond lengths. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Au(1), and four equivalent Au(2) atoms. Both Ti(1)-Au(1) bond lengths are 2.67 Å. There are two shorter (2.67 Å) and two longer (2.81 Å) Ti(1)-Au(2) bond lengths. In the second Ti site, Ti(2) is bonded in a distorted water-like geometry to two Zr(1,1); four equivalent Zr(2); and two equivalent Au(1) atoms. Both Ti(2)-Au(1) bond lengths are 2.69 Å. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to two Zr(1,1); four equivalent Zr(2); and two equivalent Au(1) atoms. Both Ti(3)-Au(1) bond lengths are 2.76 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 12-coordinate geometry to three Zr(1,1); three equivalent Zr(2); one Ti(1); one Ti(3); two equivalent Ti(2); and two equivalent Au(2) atoms. Both Au(1)-Au(2) bond lengths are 2.84 Å. In the second Au site, Au(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2); four Zr(1,1); two equivalent Ti(1); two equivalent Au(1); and two equivalent Au(2) atoms. There is one shorter (2.71 Å) and one longer (2.88 Å) Au(2)-Au(2) bond length.