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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InPt3 by Materials Project

Pt3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt+0.67- is bonded to eight equivalent Pt+0.67- and four equivalent In2+ atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with twelve equivalent PtIn4Pt8 cuboctahedra, edges with eight equivalent InPt12 cuboctahedra, edges with sixteen equivalent PtIn4Pt8 cuboctahedra, faces with four equivalent InPt12 cuboctahedra, and faces with fourteen equivalent PtIn4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. All Pt–In bond lengths are 2.87 Å. In2+ is bonded to twelve equivalent Pt+0.67- atoms to form InPt12 cuboctahedra that share corners with twelve equivalent InPt12 cuboctahedra, edges with twenty-four equivalent PtIn4Pt8 cuboctahedra, faces with six equivalent InPt12 cuboctahedra, and faces with twelve equivalent PtIn4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In7Pt3 by Materials Project

Pt3In7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pt is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to four equivalent Pt atoms. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Pt by Materials Project

PtIn2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded in a body-centered cubic geometry to eight equivalent In1+ atoms. All Pt–In bond lengths are 2.81 Å. In1+ is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing InPt4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPt by Materials Project

PtIn crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six In2+ atoms to form distorted edge-sharing PtIn6 octahedra. There are four shorter (2.82 Å) and two longer (2.83 Å) Pt–In bond lengths. In the second Pt2- site, Pt2- is bonded in a 11-coordinate geometry to seven In2+ atoms. There are a spread of Pt–In bond distances ranging from 2.70–3.24 Å. In the third Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven In2+ atoms. There are a spread of Pt–In bond distances ranging from 2.81–2.99 Å. There are three inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the second In2+ site, In2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the third In2+ site, In2+ is bonded in a 8-coordinate geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Pt3 by Materials Project

Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In9Pt13 by Materials Project

Pt13In9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.89+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.03 Å. There are a spread of Pt–In bond distances ranging from 2.71–2.89 Å. In the second Pt2- site, Pt2- is bonded in a 6-coordinate geometry to three Pt2- and six In+2.89+ atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.71–2.88 Å. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to six Pt2- and seven In+2.89+ atoms. The Pt–Pt bond length is 2.86 Å. There are a spread of Pt–In bond distances ranging from 2.82–3.32 Å. In the fourth Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Pt2- and six In+2.89+ atoms. Both Pt–Pt bond lengths are 2.84 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the fifth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to form distorted face-sharing PtIn6Pt6 cuboctahedra. There are four shorter (2.86 Å) and two longer (3.02 Å) Pt–In bond lengths. In the sixth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.89+ atoms to form a mixture of distorted face and corner-sharing PtIn6Pt6 cuboctahedra. There are a spread of Pt–In bond distances ranging from 2.84–2.99 Å. There are four inequivalent In+2.89+ sites. In the first In+2.89+ site, In+2.89+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. In the second In+2.89+ site, In+2.89+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the third In+2.89+ site, In+2.89+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fourth In+2.89+ site, In+2.89+ is bonded in a body-centered cubic geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Pt2 by Materials Project

Pt2In3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pt2- is bonded in a body-centered cubic geometry to eight In+1.33+ atoms. There are a spread of Pt–In bond distances ranging from 2.75–2.88 Å. There are two inequivalent In+1.33+ sites. In the first In+1.33+ site, In+1.33+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. In the second In+1.33+ site, In+1.33+ is bonded in a distorted pentagonal planar geometry to five equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Pt by Materials Project

PtIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pt is bonded to twelve In atoms to form PtIn12 cuboctahedra that share corners with four equivalent PtIn12 cuboctahedra, corners with eight equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen equivalent InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen InIn8Pt4 cuboctahedra. There are four shorter (3.10 Å) and eight longer (3.15 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Pt and eight In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with twelve equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen InIn8Pt4 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.15 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Pt and eight equivalent In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with four equivalent InIn8Pt4 cuboctahedra, corners with eight equivalent PtIn12 cuboctahedra, edges with twenty-four InIn8Pt4 cuboctahedra, faces with six equivalent PtIn12 cuboctahedra, and faces with twelve InIn8Pt4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Pt4 by Materials Project

Pt4In3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.90–3.07 Å. There are a spread of Pt–In bond distances ranging from 2.71–2.94 Å. In the second Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–2.97 Å. There are a spread of Pt–In bond distances ranging from 2.76–2.88 Å. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to six Pt2- and six In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.78–3.06 Å. There are a spread of Pt–In bond distances ranging from 2.77–3.13 Å. In the fourth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to two Pt2- and six In+2.67+ atoms. There are one shorter (2.83 Å) and one longer (2.84 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.73–2.92 Å. In the fifth Pt2- site, Pt2- is bonded to six Pt2- and six In+2.67+ atoms to form distorted PtIn6Pt6 cuboctahedra that share edges with two equivalent InPt7 hexagonal pyramids. There are one shorter (2.93 Å) and one longer (2.96 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.86–3.15 Å. In the sixth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. The Pt–Pt bond length is 3.03 Å. There are a spread of Pt–In bond distances ranging from 2.80–3.00 Å. In the seventh Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Pt2- and seven In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.89–3.11 Å. There are a spread of Pt–In bond distances ranging from 2.74–3.22 Å. In the eighth Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Pt2- and seven In+2.67+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.85–2.96 Å. There are a spread of Pt–In bond distances ranging from 2.78–3.28 Å. In the ninth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are two shorter (2.93 Å) and one longer (3.00 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.79–3.00 Å. In the tenth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.95 Å. In the eleventh Pt2- site, Pt2- is bonded in a 6-coordinate geometry to five Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.70–2.93 Å. In the twelfth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to four Pt2- and six In+2.67+ atoms. There are a spread of Pt–In bond distances ranging from 2.71–2.94 Å. There are nine inequivalent In+2.67+ sites. In the first In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second In+2.67+ site, In+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the third In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fourth In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the fifth In+2.67+ site, In+2.67+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. In the sixth In+2.67+ site, In+2.67+ is bonded in a 10-coordinate geometry to ten Pt2- atoms. In the seventh In+2.67+ site, In+2.67+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the eighth In+2.67+ site, In+2.67+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the ninth In+2.67+ site, In+2.67+ is bonded to seven Pt2- atoms to form distorted InPt7 hexagonal pyramids that share edges with two equivalent PtIn6Pt6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In3Pt by Materials Project

PtIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pt is bonded to twelve equivalent In atoms to form PtIn12 cuboctahedra that share corners with twelve equivalent PtIn12 cuboctahedra, edges with twenty-four equivalent InIn8Pt4 cuboctahedra, faces with six equivalent PtIn12 cuboctahedra, and faces with twelve equivalent InIn8Pt4 cuboctahedra. All Pt–In bond lengths are 3.14 Å. In is bonded to four equivalent Pt and eight equivalent In atoms to form distorted InIn8Pt4 cuboctahedra that share corners with twelve equivalent InIn8Pt4 cuboctahedra, edges with eight equivalent PtIn12 cuboctahedra, edges with sixteen equivalent InIn8Pt4 cuboctahedra, faces with four equivalent PtIn12 cuboctahedra, and faces with fourteen equivalent InIn8Pt4 cuboctahedra. All In–In bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗