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DOE OSTI2020

Materials Data on Sm3Os by Materials Project

Sm3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 2-coordinate geometry to three equivalent Os atoms. There are a spread of Sm–Os bond distances ranging from 2.90–3.32 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.84 Å) and one longer (2.89 Å) Sm–Os bond lengths. Os is bonded in a 6-coordinate geometry to eight Sm atoms.

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DOE OSTI2020

Materials Data on Nd3Os by Materials Project

Nd3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to three equivalent Os atoms. There are a spread of Nd–Os bond distances ranging from 2.91–3.39 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.86 Å) and one longer (2.92 Å) Nd–Os bond lengths. Os is bonded in a 6-coordinate geometry to eight Nd atoms.

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Materials Data on Li5OsO6 by Materials Project

Li5OsO6 is Caswellsilverite-like structured and crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent OsO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–11°. All Li–O bond lengths are 2.09 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four LiO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–9°. There are four shorter (2.07 Å) and two longer (2.25 Å) Li–O bond lengths. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four LiO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–11°. There are a spread of Li–O bond distances ranging from 2.08–2.16 Å. In the fourth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent OsO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 8–11°. There are four shorter (2.09 Å) and two longer (2.10 Å) Li–O bond lengths. In the fifth Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent OsO6 octahedra, corners with four LiO6 octahedra, edges with two equivalent OsO6 octahedra, and edges with ten LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–11°. There are two shorter (2.08 Å) and four longer (2.16 Å) Li–O bond lengths. Os7+ is bonded to six O2- atoms to form OsO6 octahedra that share corners with six LiO6 octahedra and edges with twelve LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Os–O bond distances ranging from 1.90–1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Li1+ and one Os7+ atom to form a mixture of edge and corner-sharing OLi5Os octahedra. The corner-sharing octahedra tilt angles range from 0–13°. In the second O2- site, O2- is bonded to five Li1+ and one Os7+ atom to form a mixture of edge and corner-sharing OLi5Os octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third O2- site, O2- is bonded to five Li1+ and one Os7+ atom to form a mixture of edge and corner-sharing OLi5Os octahedra. The corner-sharing octahedra tilt angles range from 0–12°.

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DOE OSTI2020

Materials Data on Pr3Os by Materials Project

Pr3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to three equivalent Os atoms. There are a spread of Pr–Os bond distances ranging from 2.93–3.46 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.89 Å) and one longer (2.94 Å) Pr–Os bond lengths. Os is bonded in a 6-coordinate geometry to eight Pr atoms.

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Materials Data on Th(GeOs)2 by Materials Project

Th(OsGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eight equivalent Os and eight equivalent Ge atoms. All Th–Os bond lengths are 3.30 Å. All Th–Ge bond lengths are 3.31 Å. Os is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Ge atoms. All Os–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Th, four equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

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Materials Data on Nd(Al5Os)2 by Materials Project

Nd(OsAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to four equivalent Os and sixteen Al atoms. All Nd–Os bond lengths are 3.49 Å. There are a spread of Nd–Al bond distances ranging from 3.19–3.70 Å. Os is bonded in a 10-coordinate geometry to two equivalent Nd and ten Al atoms. There are a spread of Os–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Nd and two equivalent Os atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Nd and two equivalent Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Nd and two equivalent Os atoms. In the fifth Al site, Al is bonded in a 2-coordinate geometry to one Nd and two equivalent Os atoms.

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Materials Data on K(OsO3)2 by Materials Project

KOs2O6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.21 Å. There are two inequivalent Os+5.50+ sites. In the first Os+5.50+ site, Os+5.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing OsO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. There are a spread of Os–O bond distances ranging from 1.93–1.99 Å. In the second Os+5.50+ site, Os+5.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing OsO6 octahedra. The corner-sharing octahedra tilt angles range from 38–45°. There are a spread of Os–O bond distances ranging from 1.89–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Os+5.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Os+5.50+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Os+5.50+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Os+5.50+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Os+5.50+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Os+5.50+ atoms.

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Materials Data on Er3Ge13Os4 by Materials Project

Er3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Er–Os bond lengths are 3.20 Å. There are eight shorter (3.18 Å) and four longer (3.25 Å) Er–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Er, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on Nd3Ge13Os4 by Materials Project

Nd3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Nd–Os bond lengths are 3.25 Å. There are eight shorter (3.24 Å) and four longer (3.28 Å) Nd–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Ge atoms. All Os–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Nd, two equivalent Os, and two Ge atoms. There are one shorter (2.70 Å) and one longer (3.06 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on Eu3Ge13Os4 by Materials Project

Eu3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Eu–Os bond lengths are 3.25 Å. There are eight shorter (3.27 Å) and four longer (3.28 Å) Eu–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Ge atoms. All Os–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Eu, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.99 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Dy3Ge13Os4 by Materials Project

Dy3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Dy–Os bond lengths are 3.21 Å. There are eight shorter (3.20 Å) and four longer (3.25 Å) Dy–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Dy and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Dy, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.01 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Yb3Ge13Os4 by Materials Project

Yb3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Yb–Os bond lengths are 3.22 Å. There are eight shorter (3.23 Å) and four longer (3.26 Å) Yb–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Yb, two equivalent Os, and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.98 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Ge13Os4 by Materials Project

Pr3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Pr–Os bond lengths are 3.25 Å. There are eight shorter (3.26 Å) and four longer (3.28 Å) Pr–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ge atoms. All Os–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Pr, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3Ge13Os4 by Materials Project

Sm3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Sm–Os bond lengths are 3.23 Å. There are eight shorter (3.22 Å) and four longer (3.27 Å) Sm–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Os–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.04 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Ge13Os4 by Materials Project

Tb3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Tb–Os bond lengths are 3.22 Å. There are eight shorter (3.20 Å) and four longer (3.25 Å) Tb–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Tb, two equivalent Os, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.03 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge13Os4 by Materials Project

Ho3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Ho–Os bond lengths are 3.20 Å. There are eight shorter (3.18 Å) and four longer (3.24 Å) Ho–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ge atoms. All Os–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Ho, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Lu3Ge13Os4 by Materials Project

Lu3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Lu–Os bond lengths are 3.19 Å. There are eight shorter (3.16 Å) and four longer (3.23 Å) Lu–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ge atoms. All Os–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Lu, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.03 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Ge13Os4 by Materials Project

Gd3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Gd–Os bond lengths are 3.21 Å. There are eight shorter (3.18 Å) and four longer (3.25 Å) Gd–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ge atoms. All Os–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Gd, two equivalent Os, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.06 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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