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Materials Data on MgPt by Materials Project

MgPt is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven equivalent Pt2- atoms. There are a spread of Mg–Pt bond distances ranging from 2.67–2.78 Å. Pt2- is bonded in a 7-coordinate geometry to seven equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg2Pt by Materials Project

Mg2Pt crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Pt atoms. All Mg–Pt bond lengths are 2.73 Å. Pt is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Pt by Materials Project

Mg3Pt crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt atoms. All Mg–Pt bond lengths are 2.67 Å. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Pt atoms. All Mg–Pt bond lengths are 2.70 Å. In the third Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Pt atoms. There are one shorter (2.79 Å) and two longer (2.84 Å) Mg–Pt bond lengths. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Pt atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) Mg–Pt bond lengths. Pt is bonded in a 10-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPt3 by Materials Project

MgPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent Pt+0.67- atoms to form a mixture of face and corner-sharing MgPt12 cuboctahedra. All Mg–Pt bond lengths are 2.81 Å. Pt+0.67- is bonded in a distorted square co-planar geometry to four equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg3Pt by Materials Project

Mg3Pt is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Pt atoms. There are one shorter (2.73 Å) and three longer (3.04 Å) Mg–Pt bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Pt atoms. All Mg–Pt bond lengths are 2.67 Å. Pt is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPt5 by Materials Project

MgPt5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgPt5 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a distorted q6 geometry to ten Pt+0.40- atoms. There are a spread of Mg–Pt bond distances ranging from 2.73–2.84 Å. There are five inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to two equivalent Mg2+ atoms to form distorted PtMg2 cuboctahedra that share corners with six PtMg2 cuboctahedra and an edgeedge with one PtMg3 cuboctahedra. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the third Pt+0.40- site, Pt+0.40- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the fifth Pt+0.40- site, Pt+0.40- is bonded to three equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing PtMg3 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MgPt5 by Materials Project

MgPt5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 10-coordinate geometry to ten Pt+0.40- atoms. There are a spread of Mg–Pt bond distances ranging from 2.70–2.95 Å. There are five inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to twelve Pt+0.40- atoms to form PtPt12 cuboctahedra that share corners with twelve PtPt12 cuboctahedra, edges with three equivalent PtMg2Pt10 cuboctahedra, and faces with six PtPt12 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.76–3.02 Å. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to four equivalent Mg2+ and four Pt+0.40- atoms. Both Pt–Pt bond lengths are 2.79 Å. In the third Pt+0.40- site, Pt+0.40- is bonded to two equivalent Mg2+ and ten Pt+0.40- atoms to form a mixture of edge, face, and corner-sharing PtMg2Pt10 cuboctahedra. There are four shorter (2.77 Å) and two longer (2.81 Å) Pt–Pt bond lengths. In the fourth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and four equivalent Pt+0.40- atoms. In the fifth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and six Pt+0.40- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Mg5Pt by Materials Project

Mg5Pt crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to three equivalent Mg and two equivalent Pt atoms. There are two shorter (3.11 Å) and one longer (3.35 Å) Mg–Mg bond lengths. Both Mg–Pt bond lengths are 2.80 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, corner, and face-sharing MgMg12 cuboctahedra. There are four shorter (3.03 Å) and two longer (3.33 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two equivalent Pt atoms. Both Mg–Pt bond lengths are 2.71 Å. Pt is bonded in a body-centered cubic geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗

Materials Data on MgPt2 by Materials Project

MgPt2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to nine Pt atoms to form distorted MgPt9 cuboctahedra that share corners with fifteen equivalent MgPt9 cuboctahedra, corners with twenty-four PtMg6Pt6 cuboctahedra, edges with three equivalent PtMg6Pt6 cuboctahedra, and faces with five equivalent MgPt9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Mg–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six equivalent Mg and six equivalent Pt atoms to form distorted PtMg6Pt6 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with twelve equivalent PtMg4Pt2 cuboctahedra, edges with six equivalent MgPt9 cuboctahedra, edges with eighteen PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.80 Å. In the second Pt site, Pt is bonded to four equivalent Mg and two equivalent Pt atoms to form distorted PtMg4Pt2 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with sixteen PtMg6Pt6 cuboctahedra, edges with ten PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg4Pt2 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on MgPt5 by Materials Project

MgPt5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg2+ is bonded to twelve Pt+0.40- atoms to form a mixture of edge and face-sharing MgPt12 cuboctahedra. All Mg–Pt bond lengths are 2.82 Å. There are two inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded in a distorted water-like geometry to two equivalent Mg2+ atoms. In the second Pt+0.40- site, Pt+0.40- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗