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DOE OSTI2020

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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DOE OSTI2020

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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DOE OSTI2020

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↗
DOE OSTI2020

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.

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DOE OSTI2020

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.

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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.

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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.

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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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Materials Data on ScGe2Os by Materials Project

ScOsGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to four Os and eight Ge atoms. There are a spread of Sc–Os bond distances ranging from 3.08–3.17 Å. There are a spread of Sc–Ge bond distances ranging from 2.71–3.02 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to six Os and seven Ge atoms. There are a spread of Sc–Os bond distances ranging from 3.14–3.27 Å. There are a spread of Sc–Ge bond distances ranging from 2.84–2.98 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to five Sc, one Os, and six Ge atoms. The Os–Os bond length is 2.86 Å. There are a spread of Os–Ge bond distances ranging from 2.45–2.72 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four Sc, two equivalent Os, and six Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.54–2.63 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Sc and four Os atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Sc, three Os, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Sc, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Sc and four Os atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Ge13Os4 by Materials Project

Tm3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Tm–Os bond lengths are 3.20 Å. There are eight shorter (3.18 Å) and four longer (3.24 Å) Tm–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Tm 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 Tm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.02 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 Th3Sn13Os4 by Materials Project

Th3Os4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Os and twelve equivalent Sn atoms. All Th–Os bond lengths are 3.47 Å. All Th–Sn bond lengths are 3.46 Å. Os is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Os–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Os, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on Y3Ge13Os4 by Materials Project

Y3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Y–Os bond lengths are 3.22 Å. There are eight shorter (3.21 Å) and four longer (3.25 Å) Y–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Y 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 Y, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.02 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 LaGe3Os by Materials Project

LaOsGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Os and twelve Ge atoms. There are one shorter (3.49 Å) and four longer (3.54 Å) La–Os bond lengths. There are a spread of La–Ge bond distances ranging from 3.26–3.47 Å. Os is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.39 Å) and four longer (2.47 Å) Os–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Os, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Os, and two equivalent Ge atoms.

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DOE OSTI2020

Materials Data on Lu(Al5Os)2 by Materials Project

Lu(OsAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to four equivalent Os and fourteen Al atoms. All Lu–Os bond lengths are 3.45 Å. There are a spread of Lu–Al bond distances ranging from 3.10–3.35 Å. Os is bonded in a 10-coordinate geometry to two equivalent Lu and ten Al atoms. There are a spread of Os–Al bond distances ranging from 2.57–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Lu and two equivalent Os atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to one Lu and two equivalent Os atoms. In the third Al site, Al is bonded in a distorted bent 120 degrees geometry to one Lu and two equivalent Os atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Lu and two equivalent Os atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Lu and two equivalent Os atoms.

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Materials Data on Ti2FeB6(Os2Rh)3 by Materials Project

Ti2FeB6(Os2Rh)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti3+ is bonded in a 2-coordinate geometry to eight Os2- and four B1- atoms. There are a spread of Ti–Os bond distances ranging from 2.76–2.82 Å. There are a spread of Ti–B bond distances ranging from 2.36–2.67 Å. There are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 3-coordinate geometry to two equivalent Ti3+, two equivalent Rh3+, and three B1- atoms. Both Os–Rh bond lengths are 2.74 Å. There are two shorter (2.20 Å) and one longer (2.29 Å) Os–B bond lengths. In the second Os2- site, Os2- is bonded in a 2-coordinate geometry to four equivalent Ti3+, two equivalent Rh3+, and three B1- atoms. Both Os–Rh bond lengths are 2.73 Å. There are two shorter (2.21 Å) and one longer (2.42 Å) Os–B bond lengths. In the third Os2- site, Os2- is bonded in a 3-coordinate geometry to two equivalent Ti3+, two equivalent Rh3+, and three B1- atoms. Both Os–Rh bond lengths are 2.71 Å. There are two shorter (2.21 Å) and one longer (2.40 Å) Os–B bond lengths. Fe3+ is bonded in a distorted L-shaped geometry to four B1- atoms. There are two shorter (2.09 Å) and two longer (2.71 Å) Fe–B bond lengths. There are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a 10-coordinate geometry to four equivalent Os2- and six B1- atoms. There are two shorter (2.21 Å) and four longer (2.31 Å) Rh–B bond lengths. In the second Rh3+ site, Rh3+ is bonded in a 10-coordinate geometry to four Os2- and six B1- atoms. There are a spread of Rh–B bond distances ranging from 2.16–2.45 Å. There are four inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent Ti3+, six Os2-, and one Fe3+ atom. In the second B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent Os2-, two equivalent Fe3+, four equivalent Rh3+, and one B1- atom. The B–B bond length is 2.07 Å. In the third B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent Ti3+, two Os2-, four Rh3+, and one B1- atom. The B–B bond length is 1.89 Å. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to six Rh3+ and three B1- atoms.

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