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At least 1,297 records · Page 72
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DOE OSTI2020

Materials Data on Rb3Ge7HO20 by Materials Project

(Rb3Ge7O19)2H2O2 crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three water molecules and one Rb3Ge7O19 framework. In the Rb3Ge7O19 framework, Rb is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Rb–O bond distances ranging from 3.10–3.30 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four O atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There is one shorter (1.76 Å) and three longer (1.77 Å) Ge–O bond length. In the second Ge site, Ge is bonded to six O atoms to form corner-sharing GeO6 octahedra. There is three shorter (1.84 Å) and three longer (2.04 Å) Ge–O bond length. In the third Ge site, Ge is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Ge–O bond distances ranging from 1.80–2.07 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Rb atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Rb and two Ge atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Ge atoms.

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DOE OSTI2020

Materials Data on Y3(CuGe)4 by Materials Project

Y3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to six Ge atoms to form distorted edge-sharing YGe6 octahedra. There are four shorter (2.95 Å) and two longer (3.02 Å) Y–Ge bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.01 Å) and two longer (3.08 Å) Y–Cu bond lengths. There are two shorter (3.02 Å) and four longer (3.06 Å) Y–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Y, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.53 Å. There are a spread of Cu–Ge bond distances ranging from 2.50–2.61 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Y and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(FeGe)4 by Materials Project

Tm3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. There are four shorter (2.91 Å) and two longer (2.97 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.91 Å) and four longer (3.06 Å) Tm–Fe bond lengths. There are two shorter (2.89 Å) and four longer (2.99 Å) Tm–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Tm, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.46 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.67 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScGe2 by Materials Project

ScGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.81–3.08 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Sc and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.75 Å.

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DOE OSTI2020

Materials Data on Pr3(NiGe)4 by Materials Project

Pr3(NiGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight equivalent Ni and four equivalent Ge atoms to form a mixture of edge and face-sharing PrNi8Ge4 cuboctahedra. All Pr–Ni bond lengths are 3.18 Å. All Pr–Ge bond lengths are 3.19 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Ni and eight Ge atoms. There are two shorter (3.17 Å) and four longer (3.19 Å) Pr–Ni bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.18–3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.40 Å. Both Ni–Ge bond lengths are 2.40 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.40–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six Pr and three Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGe2 by Materials Project

CaGe2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.04–3.18 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to three equivalent Ca and three equivalent Ge atoms to form distorted edge-sharing GeCa3Ge3 octahedra. All Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Ca and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.60 Å.

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DOE OSTI2020

Materials Data on PrAlGe by Materials Project

PrAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. In the second Pr site, Pr is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing PrAl6Ge6 cuboctahedra. There are two shorter (3.27 Å) and four longer (3.29 Å) Pr–Al bond lengths. All Pr–Ge bond lengths are 3.28 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. Both Al–Pr bond lengths are 3.27 Å. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. All Al–Pr bond lengths are 3.29 Å. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. In the fourth Al site, Al is bonded in a distorted trigonal planar geometry to six Pr and three equivalent Ge atoms. There are two shorter (3.27 Å) and four longer (3.29 Å) Al–Pr bond lengths. There are one shorter (2.46 Å) and two longer (2.48 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six Pr and three Al atoms.

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DOE OSTI2020

Materials Data on EuCoGe3 by Materials Project

EuCoGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Co and twelve Ge atoms. There are one shorter (3.40 Å) and four longer (3.45 Å) Eu–Co bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.15–3.31 Å. Co is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.30 Å) and four longer (2.36 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Eu, one Co, and four equivalent Ge atoms.

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DOE OSTI2020

Materials Data on LiYbGe2 by Materials Project

LiYbGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.60–2.77 Å. Yb is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.05–3.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Yb, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Yb, and two equivalent Ge atoms.

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DOE OSTI2020

Materials Data on TmGe2 by Materials Project

TmGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.91–3.20 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Tm and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Tm and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å.

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DOE OSTI2020

Materials Data on PrGe3Rh by Materials Project

PrRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.46 Å) and four longer (3.54 Å) Pr–Rh bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.23–3.48 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.41 Å) and four longer (2.46 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGe3Rh by Materials Project

CeRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.37 Å) and four longer (3.54 Å) Ce–Rh bond lengths. There are eight shorter (3.22 Å) and four longer (3.47 Å) Ce–Ge bond lengths. Rh is bonded in a 5-coordinate geometry to five equivalent Ce and five Ge atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ce, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeGe3Ir by Materials Project

CeIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are one shorter (3.41 Å) and four longer (3.54 Å) Ce–Ir bond lengths. There are eight shorter (3.23 Å) and four longer (3.49 Å) Ce–Ge bond lengths. Ir is bonded in a 5-coordinate geometry to five equivalent Ce and five Ge atoms. There are one shorter (2.41 Å) and four longer (2.45 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ce, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ce, one Ir, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGe3Rh by Materials Project

LaRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.47 Å) and four longer (3.55 Å) La–Rh bond lengths. There are a spread of La–Ge bond distances ranging from 3.25–3.49 Å. Rh is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.43 Å) and four longer (2.47 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.76 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrCoGe3 by Materials Project

PrCoGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Co and twelve Ge atoms. There are one shorter (3.32 Å) and four longer (3.49 Å) Pr–Co bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.14–3.36 Å. Co is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.30 Å) and four longer (2.36 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.79 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Co, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrLiGe2 by Materials Project

LiSrGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.65 Å) and four longer (2.78 Å) Li–Ge bond lengths. Sr is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.26–3.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Sr, and two equivalent Ge atoms. There are one shorter (2.50 Å) and one longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five equivalent Sr, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaLiGe2 by Materials Project

LiBaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.74–2.91 Å. Ba is bonded in a 5-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Li, four equivalent Ba, and two equivalent Ge atoms. There are one shorter (2.51 Å) and one longer (2.57 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li, five equivalent Ba, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGe2 by Materials Project

HfGe2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.78–3.13 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six equivalent Hf and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.70 Å.

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