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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiPt8 by Materials Project

Pt8Ti crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Pt8Ti ribbons oriented in the (0, 0, 1) direction. Ti4+ is bonded to twelve Pt+0.50- atoms to form face-sharing TiPt12 cuboctahedra. There are eight shorter (2.76 Å) and four longer (2.77 Å) Ti–Pt bond lengths. There are two inequivalent Pt+0.50- sites. In the first Pt+0.50- site, Pt+0.50- is bonded in a distorted L-shaped geometry to two equivalent Ti4+ atoms. In the second Pt+0.50- site, Pt+0.50- is bonded in a distorted single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Pt5 by Materials Project

Pt5Ti3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded in a distorted q6 geometry to ten Pt2- atoms. There are a spread of Ti–Pt bond distances ranging from 2.67–2.86 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to eight Pt2- atoms to form a mixture of distorted edge and corner-sharing TiPt8 hexagonal bipyramids. There are a spread of Ti–Pt bond distances ranging from 2.64–2.75 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Ti+3.33+ atoms. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Ti+3.33+ atoms. In the third Pt2- site, Pt2- is bonded to six Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing PtTi6 cuboctahedra.

36 MATERIALS SCIENCE↗