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DOE OSTI2020

Materials Data on Dy2Ge5Rh3 by Materials Project

Dy2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to six Rh and ten Ge atoms. There are a spread of Dy–Rh bond distances ranging from 3.19–3.57 Å. There are a spread of Dy–Ge bond distances ranging from 3.04–3.40 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Dy and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.74 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.42–2.57 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Dy, three Rh, and four Ge atoms. There are two shorter (2.69 Å) and two longer (2.96 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Rh, and two Ge atoms. The Ge–Ge bond length is 2.70 Å. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy, three Rh, and four Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmGe2Pt by Materials Project

SmPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to four equivalent Pt and ten Ge atoms. All Sm–Pt bond lengths are 3.30 Å. There are four shorter (3.30 Å) and six longer (3.40 Å) Sm–Ge bond lengths. In the second Sm site, Sm is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. There are four shorter (3.25 Å) and two longer (3.28 Å) Sm–Pt bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.05–3.08 Å. Pt is bonded in a 10-coordinate geometry to five Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sm, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Sm, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Co3Ge5 by Materials Project

Tb2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.89–3.22 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.31–2.42 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.69 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, three Co, and two Ge atoms. There are one shorter (2.65 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Tb, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.87 Å. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, three Co, and four Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Ge5Rh3 by Materials Project

Er2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to six Rh and ten Ge atoms. There are a spread of Er–Rh bond distances ranging from 3.16–3.57 Å. There are a spread of Er–Ge bond distances ranging from 3.02–3.37 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Er and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.71 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.40–2.54 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Er, three Rh, and two Ge atoms. There are one shorter (2.68 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 3-coordinate geometry to four equivalent Er, three Rh, and four Ge atoms. Both Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, three Rh, and four Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Co3Ge5 by Materials Project

Er2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.88–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.39–2.68 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.30–2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er, three Co, and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Er, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, three Co, and four Ge atoms.

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Materials Data on Ba3(Ge4Ir)4 by Materials Project

Ba3(IrGe4)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 8-coordinate geometry to two equivalent Ir and sixteen Ge atoms. Both Ba–Ir bond lengths are 3.65 Å. There are a spread of Ba–Ge bond distances ranging from 3.53–3.58 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ir and sixteen Ge atoms. All Ba–Ir bond lengths are 3.87 Å. There are eight shorter (3.61 Å) and eight longer (3.74 Å) Ba–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three Ba and six Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ba, two equivalent Ir, and two Ge atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ba and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms. The Ge–Ge bond length is 2.57 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on PrGe2Pt by Materials Project

PrPtGe2 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 in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Pr–Pt bond lengths are 3.35 Å. There are four shorter (3.32 Å) and six longer (3.46 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Pr–Pt bond lengths are 3.30 Å. There are four shorter (3.07 Å) and four longer (3.10 Å) Pr–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Pr, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Ge5Rh3 by Materials Project

Tb2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Tb–Ge bond distances ranging from 3.01–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.71 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.41–2.52 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, three Rh, and two Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to three Rh and four Ge atoms. Both Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tb, three Rh, and four Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiGe2 by Materials Project

TmNiGe2 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 in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.09 Å) and two longer (3.17 Å) Tm–Ni bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.87–2.92 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Tm–Ni bond lengths are 3.12 Å. There are a spread of Tm–Ge bond distances ranging from 3.14–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Tm and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Tm, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tm, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.50 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Er11(AlGe4)2 by Materials Project

Al2Er11Ge8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to four equivalent Al and five Ge atoms. All Er–Al bond lengths are 3.26 Å. There are four shorter (3.19 Å) and one longer (3.50 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to one Al and six Ge atoms to form distorted ErAlGe6 pentagonal bipyramids that share corners with eight equivalent ErGe7 pentagonal bipyramids, an edgeedge with one ErAlGe6 pentagonal bipyramid, and faces with six ErAlGe6 pentagonal bipyramids. The Er–Al bond length is 3.13 Å. There are a spread of Er–Ge bond distances ranging from 2.76–3.38 Å. In the third Er site, Er is bonded to seven Ge atoms to form distorted ErGe7 pentagonal bipyramids that share corners with seven ErAlGe6 pentagonal bipyramids, edges with two equivalent ErGe7 pentagonal bipyramids, and faces with six ErAlGe6 pentagonal bipyramids. There are a spread of Er–Ge bond distances ranging from 2.88–3.27 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to two equivalent Al and five Ge atoms. Both Er–Al bond lengths are 3.11 Å. There are a spread of Er–Ge bond distances ranging from 2.89–3.03 Å. Al is bonded in a 11-coordinate geometry to seven Er, two equivalent Al, and two equivalent Ge atoms. Both Al–Al bond lengths are 2.67 Å. Both Al–Ge bond lengths are 3.13 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to eight Er atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to eight Er, one Al, and one Ge atom. The Ge–Ge bond length is 2.75 Å.

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Materials Data on Sr2LiGe3 by Materials Project

LiSr2Ge3 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to one Sr and five Ge atoms. The Li–Sr bond length is 3.46 Å. There are a spread of Li–Ge bond distances ranging from 2.81–2.94 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.10–3.34 Å. In the second Sr site, Sr is bonded in a 5-coordinate geometry to one Li and nine Ge atoms. There are a spread of Sr–Ge bond distances ranging from 3.32–3.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Sr, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, five Sr, and two Ge atoms. The Ge–Ge bond length is 2.62 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Sr, and two Ge atoms. The Ge–Ge bond length is 2.66 Å.

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DOE OSTI2020

Materials Data on Tm2Ge5Rh3 by Materials Project

Tm2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 3.00–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.70 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.39–2.52 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tm, three Rh, and two Ge atoms. There are one shorter (2.68 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 3-coordinate geometry to three Rh and four Ge atoms. Both Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tm, three Rh, and four Ge atoms.

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DOE OSTI2020

Materials Data on Ba3(Ge4Rh)4 by Materials Project

Ba3Rh4Ge16 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to two equivalent Rh and sixteen Ge atoms. Both Ba–Rh bond lengths are 3.61 Å. There are four shorter (3.53 Å) and twelve longer (3.58 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Rh and sixteen Ge atoms. All Ba–Rh bond lengths are 3.87 Å. There are eight shorter (3.64 Å) and eight longer (3.68 Å) Ba–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three Ba and six Ge atoms. There are two shorter (2.49 Å) and four longer (2.51 Å) Rh–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ba, two equivalent Rh, and two Ge atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ba and two equivalent Rh atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms. The Ge–Ge bond length is 2.55 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms.

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Materials Data on CaYb3(InGe2)2 by Materials Project

CaYb3(InGe2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to four equivalent In and six Ge atoms. All Ca–In bond lengths are 3.50 Å. There are two shorter (3.07 Å) and four longer (3.15 Å) Ca–Ge bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to four equivalent In and six Ge atoms. All Yb–In bond lengths are 3.50 Å. There are two shorter (3.06 Å) and four longer (3.13 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to four equivalent In and six Ge atoms. All Yb–In bond lengths are 3.51 Å. There are two shorter (3.07 Å) and four longer (3.13 Å) Yb–Ge bond lengths. In is bonded to two equivalent Ca, six Yb, and four Ge atoms to form a mixture of distorted corner and face-sharing InCa2Yb6Ge4 cuboctahedra. There are a spread of In–Ge bond distances ranging from 2.86–2.89 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ca, four equivalent Yb, two equivalent In, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ca, four Yb, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Co3Ge5 by Materials Project

Pr2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Pr–Ge bond distances ranging from 2.95–3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.37–2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.44–2.80 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Co, and two Ge atoms. There are one shorter (2.68 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to three Co and four Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Y2Ge5Rh3 by Materials Project

Y2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Y–Ge bond distances ranging from 3.00–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.70 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.40–2.52 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Y, three Rh, and two Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to three Rh and four Ge atoms. Both Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Y, three Rh, and four Ge atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Nd2Co3Ge5 by Materials Project

Nd2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Nd–Ge bond distances ranging from 2.93–3.28 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.36–2.44 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.43–2.79 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Co and four Ge atoms. There are two shorter (2.68 Å) and two longer (2.93 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd, three Co, and two Ge atoms. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Co3Ge5 by Materials Project

Sm2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Sm–Ge bond distances ranging from 2.91–3.25 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.33–2.42 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.42–2.73 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Co, and two Ge atoms. There are one shorter (2.65 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Sm, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.91 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to three Co and four Ge atoms.

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