PtTiZr crystallizes in the orthorhombic Amm2 space group. There are two 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 Pt(1), and four equivalent Pt(2) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to three equivalent Zr(1), two equivalent Pt(2), and three equivalent Pt(1) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Pt(1), and four equivalent Pt(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted water-like geometry to two equivalent Zr(1) and two equivalent Pt(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted water-like geometry to two equivalent Zr(1) and two equivalent Pt(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Pt(2) atoms. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Ti(1), two equivalent Pt(1), and two equivalent Pt(2) atoms.
PtTiZr crystallizes in the orthorhombic Amm2 space group. There are two 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 Pt(1), and four equivalent Pt(2) atoms. The Zr(1)-Zr(1) bond length is 3.26 Å. There is one shorter (3.23 Å) and two longer (3.29 Å) Zr(1)-Zr(2) bond lengths. The Zr(1)-Ti(3) bond length is 3.10 Å. Both Zr(1)-Ti(1) bond lengths are 3.19 Å. Both Zr(1)-Ti(2) bond lengths are 3.15 Å. There is one shorter (3.10 Å) and two longer (3.21 Å) Zr(1)-Pt(1) bond lengths. There are two shorter (2.96 Å) and two longer (3.31 Å) Zr(1)-Pt(2) bond lengths. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to three equivalent Zr(1), two equivalent Pt(2), and three equivalent Pt(1) atoms. Both Zr(2)-Pt(2) bond lengths are 3.00 Å. There is one shorter (3.11 Å) and two longer (3.14 Å) Zr(2)-Pt(1) bond lengths. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to four equivalent Zr(1), two equivalent Pt(1), and four equivalent Pt(2) atoms. Both Ti(1)-Pt(1) bond lengths are 2.63 Å. There are two shorter (2.64 Å) and two longer (2.71 Å) Ti(1)-Pt(2) bond lengths. In the second Ti site, Ti(2) is bonded in a distorted water-like geometry to two equivalent Zr(1) and two equivalent Pt(1) atoms. Both Ti(2)-Pt(1) bond lengths are 2.65 Å. In the third Ti site, Ti(3) is bonded in a distorted water-like geometry to two equivalent Zr(1) and two equivalent Pt(1) atoms. Both Ti(3)-Pt(1) bond lengths are 2.65 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Pt(2) atoms. Both Pt(1)-Pt(2) bond lengths are 2.84 Å. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Ti(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. There is one shorter (2.68 Å) and one longer (2.78 Å) Pt(2)-Pt(2) bond length.