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DOE OSTI2020

Materials Data on Ho2(GePt3)3 by Materials Project

Ho2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ho3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Ho–Pt bond distances ranging from 2.97–3.19 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Ho3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.74 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Ho3+ and three Ge4+ atoms. There are one shorter (2.56 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.48 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and two Ge4+ atoms. There are one shorter (2.47 Å) and one longer (2.49 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.64–2.91 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmPt2 by Materials Project

TmPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Tm–Pt bond lengths are 3.17 Å. Pt is bonded to six equivalent Tm and six equivalent Pt atoms to form a mixture of face, edge, and corner-sharing PtTm6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4Sn25Pt12 by Materials Project

Ce4Pt12Sn25 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce is bonded to six equivalent Pt and twelve Sn atoms to form distorted CeSn12Pt6 cuboctahedra that share faces with two equivalent SnSn12 cuboctahedra and faces with six equivalent CeSn12Pt6 cuboctahedra. All Ce–Pt bond lengths are 3.37 Å. There are six shorter (3.47 Å) and six longer (3.80 Å) Ce–Sn bond lengths. Pt is bonded in a 8-coordinate geometry to two equivalent Ce and six Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.63–2.79 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Ce, three equivalent Pt, and one Sn atom. The Sn–Sn bond length is 3.44 Å. In the second Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Ce and three equivalent Pt atoms. In the third Sn site, Sn is bonded to twelve equivalent Sn atoms to form SnSn12 cuboctahedra that share faces with eight equivalent CeSn12Pt6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2(GePt3)3 by Materials Project

Dy2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Dy–Pt bond distances ranging from 2.97–3.21 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Dy3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.64–2.88 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Dy3+ and three Ge4+ atoms. There are one shorter (2.56 Å) and two longer (2.70 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Dy3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.73 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two Ge4+ atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Pt–Ge bond lengths. In the fifth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Dy3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.49 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FePt3 by Materials Project

FePt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe2+ is bonded to twelve equivalent Pt+0.67- atoms to form FePt12 cuboctahedra that share corners with twelve equivalent FePt12 cuboctahedra, edges with twenty-four equivalent PtFe4Pt8 cuboctahedra, faces with six equivalent FePt12 cuboctahedra, and faces with twelve equivalent PtFe4Pt8 cuboctahedra. All Fe–Pt bond lengths are 2.74 Å. Pt+0.67- is bonded to four equivalent Fe2+ and eight equivalent Pt+0.67- atoms to form distorted PtFe4Pt8 cuboctahedra that share corners with twelve equivalent PtFe4Pt8 cuboctahedra, edges with eight equivalent FePt12 cuboctahedra, edges with sixteen equivalent PtFe4Pt8 cuboctahedra, faces with four equivalent FePt12 cuboctahedra, and faces with fourteen equivalent PtFe4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt3Rh by Materials Project

Pt3Rh is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Pt atoms to form RhPt12 cuboctahedra that share corners with twelve equivalent RhPt12 cuboctahedra, edges with twenty-four equivalent PtPt8Rh4 cuboctahedra, faces with six equivalent RhPt12 cuboctahedra, and faces with twelve equivalent PtPt8Rh4 cuboctahedra. All Rh–Pt bond lengths are 2.79 Å. Pt is bonded to four equivalent Rh and eight equivalent Pt atoms to form PtPt8Rh4 cuboctahedra that share corners with twelve equivalent PtPt8Rh4 cuboctahedra, edges with eight equivalent RhPt12 cuboctahedra, edges with sixteen equivalent PtPt8Rh4 cuboctahedra, faces with four equivalent RhPt12 cuboctahedra, and faces with fourteen equivalent PtPt8Rh4 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPt2 by Materials Project

BaPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Ba–Pt bond lengths are 3.35 Å. Pt is bonded to six equivalent Ba and six equivalent Pt atoms to form a mixture of edge, face, and corner-sharing PtBa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPt2 by Materials Project

CaPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Ca–Pt bond lengths are 3.20 Å. Pt is bonded to six equivalent Ca and six equivalent Pt atoms to form a mixture of face, edge, and corner-sharing PtCa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.73 Å.

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Materials Data on Te4Pt3 by Materials Project

Pt3Te4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two PtTe sheets oriented in the (0, 0, 1) direction and one PtTe2 sheet oriented in the (0, 0, 1) direction. In each PtTe sheet, Pt+2.67+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Te2- atoms. There are two shorter (2.63 Å) and one longer (2.64 Å) Pt–Te bond lengths. Te2- is bonded in a 3-coordinate geometry to three equivalent Pt+2.67+ atoms. In the PtTe2 sheet, Pt+2.67+ is bonded to six equivalent Te2- atoms to form edge-sharing PtTe6 octahedra. All Pt–Te bond lengths are 2.72 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Pt+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdPt3 by Materials Project

Pt3Cd 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 Cd2+ atoms to form distorted PtCd4Pt8 cuboctahedra that share corners with twelve equivalent PtCd4Pt8 cuboctahedra, edges with eight equivalent CdPt12 cuboctahedra, edges with sixteen equivalent PtCd4Pt8 cuboctahedra, faces with four equivalent CdPt12 cuboctahedra, and faces with fourteen equivalent PtCd4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.86 Å. All Pt–Cd bond lengths are 2.86 Å. Cd2+ is bonded to twelve equivalent Pt+0.67- atoms to form CdPt12 cuboctahedra that share corners with twelve equivalent CdPt12 cuboctahedra, edges with twenty-four equivalent PtCd4Pt8 cuboctahedra, faces with six equivalent CdPt12 cuboctahedra, and faces with twelve equivalent PtCd4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPt2 by Materials Project

LaPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All La–Pt bond lengths are 3.26 Å. Pt is bonded to six equivalent La and six equivalent Pt atoms to form a mixture of edge, corner, and face-sharing PtLa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyPt2 by Materials Project

DyPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve equivalent Pt atoms. All Dy–Pt bond lengths are 3.19 Å. Pt is bonded to six equivalent Dy and six equivalent Pt atoms to form a mixture of corner, edge, and face-sharing PtDy6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPt3 by Materials Project

Pt3Co is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co2+ is bonded to twelve equivalent Pt+0.67- atoms to form CoPt12 cuboctahedra that share corners with twelve equivalent CoPt12 cuboctahedra, edges with twenty-four equivalent PtCo4Pt8 cuboctahedra, faces with six equivalent CoPt12 cuboctahedra, and faces with twelve equivalent PtCo4Pt8 cuboctahedra. All Co–Pt bond lengths are 2.75 Å. Pt+0.67- is bonded to four equivalent Co2+ and eight equivalent Pt+0.67- atoms to form distorted PtCo4Pt8 cuboctahedra that share corners with twelve equivalent PtCo4Pt8 cuboctahedra, edges with eight equivalent CoPt12 cuboctahedra, edges with sixteen equivalent PtCo4Pt8 cuboctahedra, faces with four equivalent CoPt12 cuboctahedra, and faces with fourteen equivalent PtCo4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiPt3 by Materials Project

Pt3Ti is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to twelve equivalent Pt+0.67- atoms to form TiPt12 cuboctahedra that share corners with six equivalent TiPt12 cuboctahedra, corners with twelve equivalent PtTi4Pt8 cuboctahedra, edges with eighteen equivalent PtTi4Pt8 cuboctahedra, faces with eight equivalent TiPt12 cuboctahedra, and faces with twelve equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.78 Å) and six longer (2.81 Å) Ti–Pt bond lengths. Pt+0.67- is bonded to four equivalent Ti2+ and eight equivalent Pt+0.67- atoms to form distorted PtTi4Pt8 cuboctahedra that share corners with four equivalent TiPt12 cuboctahedra, corners with fourteen equivalent PtTi4Pt8 cuboctahedra, edges with six equivalent TiPt12 cuboctahedra, edges with twelve equivalent PtTi4Pt8 cuboctahedra, faces with four equivalent TiPt12 cuboctahedra, and faces with sixteen equivalent PtTi4Pt8 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.82 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgPt3 by Materials Project

Pt3Hg 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 Hg2+ atoms to form PtHg4Pt8 cuboctahedra that share corners with twelve equivalent PtHg4Pt8 cuboctahedra, edges with eight equivalent HgPt12 cuboctahedra, edges with sixteen equivalent PtHg4Pt8 cuboctahedra, faces with four equivalent HgPt12 cuboctahedra, and faces with fourteen equivalent PtHg4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.88 Å. All Pt–Hg bond lengths are 2.88 Å. Hg2+ is bonded to twelve equivalent Pt+0.67- atoms to form HgPt12 cuboctahedra that share corners with twelve equivalent HgPt12 cuboctahedra, edges with twenty-four equivalent PtHg4Pt8 cuboctahedra, faces with six equivalent HgPt12 cuboctahedra, and faces with twelve equivalent PtHg4Pt8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi13Pt3I7 by Materials Project

Pt3Bi12I2BiI4I crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four hydriodic acid molecules; one BiI4 ribbon oriented in the (0, 1, 0) direction; and one Pt3Bi12I2 sheet oriented in the (0, 0, 1) direction. In the BiI4 ribbon, there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded to six I1- atoms to form edge-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.99–3.32 Å. In the second Bi1+ site, Bi1+ is bonded to six I1- atoms to form edge-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.93–3.41 Å. There are eight inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Bi1+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Bi1+ atom. In the fourth I1- site, I1- is bonded in a water-like geometry to two Bi1+ atoms. In the fifth I1- site, I1- is bonded in a distorted water-like geometry to two Bi1+ atoms. In the sixth I1- site, I1- is bonded in a single-bond geometry to one Bi1+ atom. In the seventh I1- site, I1- is bonded in a single-bond geometry to one Bi1+ atom. In the eighth I1- site, I1- is bonded in a water-like geometry to two equivalent Bi1+ atoms. In the Pt3Bi12I2 sheet, there are six inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.90–2.96 Å. In the second Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.90–2.98 Å. In the third Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.89–2.96 Å. In the fourth Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.91–2.97 Å. In the fifth Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.89–2.96 Å. In the sixth Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Bi1+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.90–2.96 Å. There are twenty-four inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two equivalent I1- atoms. There are one shorter (3.67 Å) and one longer (3.68 Å) Bi–I bond lengths. In the second Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the third Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the fourth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.62 Å) and one longer (3.75 Å) Bi–I bond lengths. In the fifth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.63 Å) and one longer (3.75 Å) Bi–I bond lengths. In the sixth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the seventh Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the eighth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.66 Å) and one longer (3.68 Å) Bi–I bond lengths. In the ninth Bi1+ site, Bi1+ is bonded in a distorted rectangular see-saw-like geometry to two Pt2- and two I1- atoms. There are one shorter (3.63 Å) and one longer (3.74 Å) Bi–I bond lengths. In the tenth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the eleventh Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the twelfth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two equivalent I1- atoms. There are one shorter (3.65 Å) and one longer (3.68 Å) Bi–I bond lengths. In the thirteenth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.63 Å) and one longer (3.74 Å) Bi–I bond lengths. In the fourteenth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the fifteenth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the sixteenth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.61 Å) and one longer (3.76 Å) Bi–I bond lengths. In the seventeenth Bi1+ site, Bi1+ is bonded in a distorted rectangular see-saw-like geometry to two Pt2- and two I1- atoms. There are one shorter (3.60 Å) and one longer (3.73 Å) Bi–I bond lengths. In the eighteenth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the nineteenth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the twentieth Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.62 Å) and one longer (3.75 Å) Bi–I bond lengths. In the twenty-first Bi1+ site, Bi1+ is bonded in a 4-coordinate geometry to two Pt2- and two I1- atoms. There are one shorter (3.66 Å) and one longer (3.67 Å) Bi–I bond lengths. In the twenty-second Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. In the twenty-third Bi1+ site, Bi1+ is bonded in a distorted rectangular see-saw-like geometry to two Pt2- and two I1- atoms. There are one shorter (3.61 Å) and one longer (3.74 Å) Bi–I bond lengths. In the twenty-fourth Bi1+ site, Bi1+ is bonded in a water-like geometry to two Pt2- atoms. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Bi1+ atoms. In the second I1- site, I1- is bonded in a 8-coordinate geometry to eight Bi1+ atoms. In the third I1- site, I1- is bonded in a 8-coordinate geometry to eight Bi1+ atoms. In the fourth I1- site, I1- is bonded in a 4-coordinate geometry to four Bi1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3Pt by Materials Project

Co3Pt is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with twelve equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo12 cuboctahedra, faces with two equivalent PtCo6Pt6 cuboctahedra, and faces with eighteen CoCo12 cuboctahedra. There are six shorter (2.46 Å) and six longer (2.64 Å) Co–Co bond lengths. In the second Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with eighteen equivalent CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with twelve CoCo12 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Co–Co bond lengths are 2.64 Å. All Co–Pt bond lengths are 2.69 Å. Pt is bonded to six equivalent Co and six equivalent Pt atoms to form PtCo6Pt6 cuboctahedra that share corners with six equivalent PtCo6Pt6 cuboctahedra, corners with twelve equivalent CoCo12 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with twelve equivalent CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Pt–Pt bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2PtO6 by Materials Project

Li2PtO6 is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Li2PtO6 sheet oriented in the (0, 0, 1) direction. Li is bonded to six O atoms to form LiO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent PtO6 octahedra. There are a spread of Li–O bond distances ranging from 2.16–2.18 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share edges with six equivalent LiO6 octahedra. There is one shorter (1.92 Å) and five longer (1.93 Å) Pt–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom.

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