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Materials Data on SbPt7 by Materials Project

Pt7Sb crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are twenty-five inequivalent Pt+0.43- sites. In the first Pt+0.43- site, Pt+0.43- is bonded to twelve Pt+0.43- atoms to form PtPt12 cuboctahedra that share corners with twelve equivalent PtPt12 cuboctahedra, edges with twenty-four PtSb2Pt10 cuboctahedra, faces with six equivalent SbPt12 cuboctahedra, and faces with twelve PtSb2Pt10 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. In the second Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the third Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the fourth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the fifth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the sixth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the seventh Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the eighth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the ninth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the tenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the eleventh Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twelfth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the thirteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the fourteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the fifteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the sixteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the seventeenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the eighteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the nineteenth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twentieth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twenty-first Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. The Pt–Pt bond length is 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twenty-second Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. All Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twenty-third Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. Both Pt–Pt bond lengths are 2.85 Å. Both Pt–Sb bond lengths are 2.85 Å. In the twenty-fourth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. Both Pt–Sb bond lengths are 2.85 Å. In the twenty-fifth Pt+0.43- site, Pt+0.43- is bonded to ten Pt+0.43- and two equivalent Sb3+ atoms to form PtSb2Pt10 cuboctahedra that share corners with twelve PtSb2Pt10 cuboctahedra, edges with four equivalent SbPt12 cuboctahedra, edges with twenty PtPt12 cuboctahedra, faces with two equivalent SbPt12 cuboctahedra, and faces with sixteen PtPt12 cuboctahedra. Both Pt–Sb bond lengths are 2.85 Å. Sb3+ is bonded to twelve Pt+0.43- atoms to form SbPt12 cuboctahedra that share corners with twelve equivalent SbPt12 cuboctahedra, edges with twenty-four PtSb2Pt10 cuboctahedra, and faces with eighteen PtPt12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Sb2Pt3 by Materials Project

Pt3Sb2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to five Pt2- and five equivalent Sb3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.96–3.20 Å. There are a spread of Pt–Sb bond distances ranging from 2.62–3.06 Å. In the second Pt2- site, Pt2- is bonded in a 4-coordinate geometry to six Pt2- and four equivalent Sb3+ atoms. Both Pt–Pt bond lengths are 2.70 Å. All Pt–Sb bond lengths are 2.70 Å. Sb3+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on SbPt by Materials Project

PtSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt2+ is bonded to six equivalent Sb2- atoms to form a mixture of edge, face, and corner-sharing PtSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–Sb bond lengths are 2.80 Å. Sb2- is bonded in a 6-coordinate geometry to six equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sb2Pt by Materials Project

PtSb2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt2- is bonded to six equivalent Sb1+ atoms to form corner-sharing PtSb6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Pt–Sb bond lengths are 2.71 Å. Sb1+ is bonded in a trigonal planar geometry to three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on SbPt3 by Materials Project

Pt3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form PtSb4 tetrahedra that share corners with twelve equivalent PtSb6 octahedra, corners with sixteen equivalent PtSb4 tetrahedra, edges with six equivalent PtSb4 tetrahedra, and faces with four equivalent PtSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–Sb bond lengths are 2.82 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded to six equivalent Sb2- atoms to form PtSb6 octahedra that share corners with six equivalent PtSb6 octahedra, corners with twenty-four equivalent PtSb4 tetrahedra, edges with twelve equivalent PtSb6 octahedra, and faces with eight equivalent PtSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–Sb bond lengths are 3.26 Å. Sb2- is bonded in a distorted body-centered cubic geometry to fourteen Pt+0.67+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SbPt3 by Materials Project

Pt3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded in a 4-coordinate geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.92 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of edge, corner, and face-sharing SbPt12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on SbPt3 by Materials Project

Pt3Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt+0.67+ is bonded in a see-saw-like geometry to four equivalent Sb2- atoms. There are two shorter (2.84 Å) and two longer (2.97 Å) Pt–Sb bond lengths. Sb2- is bonded to twelve equivalent Pt+0.67+ atoms to form a mixture of corner and face-sharing SbPt12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on SbPt3 by Materials Project

Pt3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 3.08 Å. In the third Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form a mixture of distorted corner and edge-sharing PtSb4 tetrahedra. All Pt–Sb bond lengths are 2.81 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SbPt12 cuboctahedra.

36 MATERIALS SCIENCE↗