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At least 1,549 records · Page 86
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DOE OSTI2020

Materials Data on Ni8Ge2B3 by Materials Project

Ni8B3Ge2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one B and four equivalent Ge atoms. The Ni–B bond length is 2.32 Å. All Ni–Ge bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to four B and two equivalent Ge atoms. There are three shorter (2.09 Å) and one longer (2.39 Å) Ni–B bond lengths. Both Ni–Ge bond lengths are 2.50 Å. In the third Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Ge atoms. Both Ni–B bond lengths are 2.09 Å. Both Ni–Ge bond lengths are 2.42 Å. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to three equivalent B and three equivalent Ge atoms. There are two shorter (2.16 Å) and one longer (2.22 Å) Ni–B bond lengths. There are one shorter (2.40 Å) and two longer (2.55 Å) Ni–Ge bond lengths. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three B and one Ge atom. There are one shorter (2.05 Å) and two longer (2.07 Å) Ni–B bond lengths. The Ni–Ge bond length is 2.37 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to nine Ni atoms. In the second B site, B is bonded in a 9-coordinate geometry to seven Ni and two equivalent B atoms. Both B–B bond lengths are 1.81 Å. Ge is bonded in a 9-coordinate geometry to nine Ni atoms.

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Materials Data on Ca(BeGe)2 by Materials Project

CaBe2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight Be and eight Ge atoms. There are four shorter (3.08 Å) and four longer (3.16 Å) Ca–Be bond lengths. There are four shorter (3.06 Å) and four longer (3.22 Å) Ca–Ge bond lengths. There are two inequivalent Be sites. In the first Be site, Be is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are one shorter (2.30 Å) and four longer (2.42 Å) Be–Ge bond lengths. In the second Be site, Be is bonded to four equivalent Ca and four equivalent Ge atoms to form distorted BeCa4Ge4 tetrahedra that share corners with twelve equivalent GeCa4Be4 tetrahedra, edges with two equivalent GeCa4Be4 tetrahedra, edges with four equivalent BeCa4Ge4 tetrahedra, and faces with four equivalent BeCa4Ge4 tetrahedra. All Be–Ge bond lengths are 2.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ca and four equivalent Be atoms to form distorted GeCa4Be4 tetrahedra that share corners with twelve equivalent BeCa4Ge4 tetrahedra, edges with two equivalent BeCa4Ge4 tetrahedra, edges with four equivalent GeCa4Be4 tetrahedra, and faces with four equivalent GeCa4Be4 tetrahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca and five Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Os2 by Materials Project

Os2Ge3 crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Os sites. In the first Os site, Os is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Os–Ge bond distances ranging from 2.46–2.65 Å. In the second Os site, Os is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.42 Å) and two longer (2.71 Å) Os–Ge bond lengths. In the third Os site, Os is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.53 Å) and four longer (2.73 Å) Os–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Os atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Os atoms.

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DOE OSTI2020

Materials Data on Ce(GeIr)2 by Materials Project

CeIr2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.24 Å) and four longer (3.38 Å) Ce–Ir bond lengths. There are four shorter (3.27 Å) and four longer (3.28 Å) Ce–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.52 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are one shorter (2.45 Å) and four longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce and five Ir atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Ir atoms.

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DOE OSTI2020

Materials Data on Cs3Ge4Au by Materials Project

Cs3AuGe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 5-coordinate geometry to one Au and four Ge atoms. The Cs–Au bond length is 3.65 Å. There are a spread of Cs–Ge bond distances ranging from 3.76–3.90 Å. In the second Cs site, Cs is bonded to two equivalent Au and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing CsGe4Au2 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Cs–Au bond lengths are 3.76 Å. There are two shorter (3.84 Å) and two longer (3.91 Å) Cs–Ge bond lengths. Au is bonded in a 8-coordinate geometry to four Cs and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four Cs and one Au atom. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Cs and one Au atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(AlGe)2 by Materials Project

BaAl2Ge2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 3-coordinate geometry to nine Al and seven Ge atoms. There are a spread of Ba–Al bond distances ranging from 3.44–3.90 Å. There are a spread of Ba–Ge bond distances ranging from 3.34–3.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to five equivalent Ba and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing AlBa5Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.56–2.62 Å. In the second Al site, Al is bonded to four equivalent Ba and four Ge atoms to form distorted AlBa4Ge4 tetrahedra that share corners with fourteen AlBa5Ge4 tetrahedra, edges with two equivalent AlBa4Ge4 tetrahedra, and faces with eight AlBa5Ge4 tetrahedra. There are three shorter (2.60 Å) and one longer (2.61 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Al atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ba and four Al atoms.

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DOE OSTI2020

Materials Data on Sc6Ni16Ge7 by Materials Project

Sc6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. All Sc–Ni bond lengths are 2.82 Å. All Sc–Ge bond lengths are 2.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Sc, six Ni, and four Ge atoms. There are three shorter (2.59 Å) and three longer (2.78 Å) Ni–Ni bond lengths. There are one shorter (2.41 Å) and three longer (2.56 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sc, six Ni, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.66 Å. All Ni–Ge bond lengths are 2.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Sc and eight Ni atoms to form a mixture of corner and face-sharing GeSc4Ni8 cuboctahedra.

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Materials Data on Hf6Ni16Ge7 by Materials Project

Hf6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.78 Å) and four longer (2.82 Å) Hf–Ni bond lengths. All Hf–Ge bond lengths are 2.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Hf, six Ni, and four Ge atoms. There are three shorter (2.61 Å) and three longer (2.75 Å) Ni–Ni bond lengths. There are one shorter (2.38 Å) and three longer (2.56 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Hf, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.37 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Hf and eight Ni atoms to form a mixture of corner and face-sharing GeHf4Ni8 cuboctahedra.

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DOE OSTI2020

Materials Data on Nb6Co16Ge7 by Materials Project

Nb6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.70 Å) and four longer (2.80 Å) Nb–Co bond lengths. All Nb–Ge bond lengths are 2.90 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to three equivalent Nb, six Co, and four Ge atoms. There are three shorter (2.56 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.51 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nb, six Co, and three equivalent Ge atoms. All Co–Co bond lengths are 2.71 Å. All Co–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Ge site, Ge is bonded to four equivalent Nb and eight Co atoms to form a mixture of distorted face and corner-sharing GeNb4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta6Ni16Ge7 by Materials Project

Ta6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.72 Å) and four longer (2.84 Å) Ta–Ni bond lengths. All Ta–Ge bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ta, six Ni, and four Ge atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.54 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ta and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTa4Ni8 cuboctahedra.

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Materials Data on Ti6Ni16Ge7 by Materials Project

Ti6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.69 Å) and four longer (2.84 Å) Ti–Ni bond lengths. All Ti–Ge bond lengths are 2.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ti, six Ni, and four Ge atoms. There are three shorter (2.59 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.52 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.33 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ti and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTi4Ni8 cuboctahedra.

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Materials Data on La(GePt)2 by Materials Project

LaPt2Ge2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of La–Pt bond distances ranging from 3.24–3.55 Å. There are a spread of La–Ge bond distances ranging from 3.24–3.60 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.61 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent La and five Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(GePt)2 by Materials Project

Eu(PtGe)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to nine Pt and nine Ge atoms. There are a spread of Eu–Pt bond distances ranging from 3.33–3.81 Å. There are a spread of Eu–Ge bond distances ranging from 3.35–3.86 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Eu and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.62–2.73 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.66–2.69 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Eu and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to five equivalent Eu and five Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5Ge3 by Materials Project

Mn5Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.72 Å. In the second Mn site, Mn is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.46–2.72 Å. In the third Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. All Mn–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Rh5 by Materials Project

Ge3Rh5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.83 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–3.13 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.64 Å) and two longer (2.75 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Rh atoms. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight Rh atoms.

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Materials Data on Nd3(GeRu)2 by Materials Project

Nd3(RuGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Nd–Ru bond distances ranging from 2.92–3.19 Å. There are a spread of Nd–Ge bond distances ranging from 3.13–3.57 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.08 Å) and two longer (3.26 Å) Nd–Ru bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.06–3.45 Å. Ru is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.56–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to eight Nd and four equivalent Ru atoms to form a mixture of distorted edge, corner, and face-sharing GeNd8Ru4 cuboctahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Ru atoms.

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Materials Data on BeGe2Te by Materials Project

BeGe2Te crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to four equivalent Te atoms to form distorted corner-sharing BeTe4 tetrahedra. All Be–Te bond lengths are 2.94 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to four equivalent Ge and four equivalent Te atoms. All Ge–Ge bond lengths are 2.94 Å. All Ge–Te bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Ge atoms. Te is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaGe2B by Materials Project

BaBGe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to four equivalent B and ten Ge atoms. All Ba–B bond lengths are 3.09 Å. There are four shorter (3.09 Å) and six longer (3.57 Å) Ba–Ge bond lengths. B is bonded to four equivalent Ba atoms to form BBa4 tetrahedra that share corners with four equivalent GeBa4Ge4 tetrahedra, corners with twelve equivalent BBa4 tetrahedra, and edges with six equivalent GeBa4Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ba and four equivalent Ge atoms to form GeBa4Ge4 tetrahedra that share corners with four equivalent BBa4 tetrahedra, edges with six equivalent BBa4 tetrahedra, and edges with twelve equivalent GeBa4Ge4 tetrahedra. All Ge–Ge bond lengths are 3.09 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Ge atoms.

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