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At least 1,225 records · Page 68
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DOE OSTI2020

Materials Data on Zr(CoGe)6 by Materials Project

Zr(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Co and eight Ge atoms to form distorted face-sharing ZrCo12Ge8 hexagonal bipyramids. All Zr–Co bond lengths are 3.20 Å. There are two shorter (2.64 Å) and six longer (2.93 Å) Zr–Ge bond lengths. Co is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.43 Å) and two longer (2.63 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Zr, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Co atoms.

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Materials Data on Yb3(GePd)4 by Materials Project

Yb3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six Ge atoms to form distorted edge-sharing YbGe6 octahedra. There are two shorter (3.07 Å) and four longer (3.12 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Pd and six Ge atoms. There are four shorter (3.08 Å) and two longer (3.11 Å) Yb–Pd bond lengths. There are two shorter (2.98 Å) and four longer (3.02 Å) Yb–Ge bond lengths. Pd is bonded in a 12-coordinate geometry to three equivalent Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.59–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(CoGe)6 by Materials Project

Mg(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to twelve equivalent Co and eight Ge atoms. All Mg–Co bond lengths are 3.19 Å. There are two shorter (2.60 Å) and six longer (2.93 Å) Mg–Ge bond lengths. Co is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.42 Å) and two longer (2.62 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Co atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Lu(FeGe)6 by Materials Project

Lu(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing LuFe12Ge8 hexagonal bipyramids. All Lu–Fe bond lengths are 3.26 Å. There are two shorter (2.81 Å) and six longer (2.94 Å) Lu–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.55 Å. There are four shorter (2.51 Å) and two longer (2.66 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Lu, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf(FeGe)6 by Materials Project

HfFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing HfFe12Ge8 hexagonal bipyramids. All Hf–Fe bond lengths are 3.23 Å. There are two shorter (2.76 Å) and six longer (2.92 Å) Hf–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Hf, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.53 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms.

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Materials Data on Sc(FeGe)6 by Materials Project

Sc(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing ScFe12Ge8 hexagonal bipyramids. All Sc–Fe bond lengths are 3.24 Å. There are two shorter (2.76 Å) and six longer (2.93 Å) Sc–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.53 Å. There are a spread of Fe–Ge bond distances ranging from 2.49–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Sc, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

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Materials Data on Nb(FeGe)6 by Materials Project

Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nb is bonded to eight Ge atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. There are two shorter (2.70 Å) and six longer (2.88 Å) Nb–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent Fe and six Ge atoms. All Fe–Fe bond lengths are 2.50 Å. There are four shorter (2.47 Å) and two longer (2.59 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Nb, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Nb and six equivalent Fe atoms.

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Materials Data on Sc(MnGe)6 by Materials Project

ScMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to eight Ge atoms to form distorted edge-sharing ScGe8 hexagonal bipyramids. There are two shorter (2.74 Å) and six longer (2.96 Å) Sc–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Sc, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

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Materials Data on Dy(MnGe)6 by Materials Project

DyMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to eight Ge atoms to form distorted edge-sharing DyGe8 hexagonal bipyramids. There are two shorter (2.80 Å) and six longer (2.99 Å) Dy–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(FeGe)6 by Materials Project

MgFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing MgFe12Ge8 hexagonal bipyramids. All Mg–Fe bond lengths are 3.21 Å. There are two shorter (2.72 Å) and six longer (2.91 Å) Mg–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.52 Å. There are four shorter (2.47 Å) and two longer (2.62 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb(MnGe)6 by Materials Project

TbMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Ge atoms to form distorted edge-sharing TbGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (3.00 Å) Tb–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.53–2.71 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Tb, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(CuGe)4 by Materials Project

Dy3(CuGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Dy–Cu bond lengths. There are two shorter (2.99 Å) and four longer (3.05 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to six Ge atoms to form distorted edge-sharing DyGe6 octahedra. There are four shorter (2.93 Å) and two longer (3.01 Å) Dy–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Dy, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.52 Å. There are a spread of Cu–Ge bond distances ranging from 2.48–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Dy and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Zr(MnGe)6 by Materials Project

ZrMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to eight Ge atoms to form distorted edge-sharing ZrGe8 hexagonal bipyramids. There are two shorter (2.76 Å) and six longer (2.96 Å) Zr–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.51–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Zr, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti(FeGe)6 by Materials Project

TiFe6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti is bonded to eight Ge atoms to form distorted edge-sharing TiGe8 hexagonal bipyramids. There are two shorter (2.67 Å) and six longer (2.87 Å) Ti–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.45–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Ti and six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Ti, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(Ge2Ru)2 by Materials Project

Sm3Ru2Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eight Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.12–3.42 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to four equivalent Ru and seven Ge atoms. There are a spread of Sm–Ru bond distances ranging from 3.10–3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.01–3.23 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Sm and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.53 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Sm, one Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to five Sm and three equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(MnGe)6 by Materials Project

YMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Ge atoms to form distorted edge-sharing YGe8 hexagonal bipyramids. There are two shorter (2.81 Å) and six longer (2.99 Å) Y–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Y, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeGe by Materials Project

FeGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to four Fe and six Ge atoms. There are two shorter (2.45 Å) and two longer (2.64 Å) Fe–Fe bond lengths. There are four shorter (2.47 Å) and two longer (2.49 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a 6-coordinate geometry to four Fe and six Ge atoms. Both Fe–Fe bond lengths are 2.68 Å. There are two shorter (2.41 Å) and four longer (2.43 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a 11-coordinate geometry to four Fe and seven Ge atoms. Both Fe–Fe bond lengths are 2.48 Å. There are a spread of Fe–Ge bond distances ranging from 2.44–2.79 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Fe and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.73 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to seven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(CuGe)4 by Materials Project

Ce3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to six Ge atoms to form distorted edge-sharing CeGe6 octahedra. There are four shorter (3.00 Å) and two longer (3.06 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.05 Å) and two longer (3.11 Å) Ce–Cu bond lengths. There are two shorter (3.06 Å) and four longer (3.14 Å) Ce–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ce, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ce and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ce, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

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