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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmPPt by Materials Project

SmPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of edge and face-sharing SmP6Pt6 cuboctahedra. All Sm–Pt bond lengths are 3.13 Å. All Sm–P bond lengths are 3.13 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.41 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2(PPt2)3 by Materials Project

Sm2(Pt2P)3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Sm–Pt bond distances ranging from 3.12–3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, eight Pt2-, and two equivalent P+2.33+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.01 Å. Both Pt–P bond lengths are 2.41 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, six equivalent Pt2-, and two equivalent P+2.33+ atoms. Both Pt–P bond lengths are 2.37 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Sm+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.35 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2P3Pt4 by Materials Project

Sm2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five Sm+2.50+ and three P+0.33- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Sm+2.50+ and four P+0.33- atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. There are a spread of P–Pt bond distances ranging from 2.33–2.52 Å. In the third P+0.33- site, P+0.33- is bonded in a 8-coordinate geometry to four Sm+2.50+ and four equivalent Pt1- atoms. In the fourth P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. All P–Sm bond lengths are 3.12 Å. The P–Pt bond length is 2.33 Å.

36 MATERIALS SCIENCE↗