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At least 1,513 records · Page 84
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DOE OSTI2020

Materials Data on ErCoGe2 by Materials Project

ErCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent Co and ten Ge atoms. All Er–Co bond lengths are 3.16 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.25 Å. Co is bonded in a 5-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.25–2.36 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Er, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGe2Rh by Materials Project

LaRhGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Rh and ten Ge atoms. All La–Rh bond lengths are 3.36 Å. There are a spread of La–Ge bond distances ranging from 3.31–3.41 Å. Rh is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent La, one Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms.

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DOE OSTI2020

Materials Data on TmNiGe2 by Materials Project

TmNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. 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 3.07–3.19 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Tm and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.28–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.48 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaMg4Ge3 by Materials Project

BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YFeGe2 by Materials Project

YFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to five equivalent Fe and ten Ge atoms. There are four shorter (3.29 Å) and one longer (3.37 Å) Y–Fe bond lengths. There are a spread of Y–Ge bond distances ranging from 3.13–3.21 Å. Fe is bonded in a 5-coordinate geometry to five equivalent Y and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.29–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Y, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfCuGe2 by Materials Project

HfCuGe2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded to four equivalent Cu and eight Ge atoms to form distorted HfCu4Ge8 cuboctahedra that share corners with four equivalent HfCu4Ge8 cuboctahedra, edges with eight equivalent HfCu4Ge8 cuboctahedra, edges with eight equivalent CuHf4Cu4Ge4 cuboctahedra, faces with four equivalent HfCu4Ge8 cuboctahedra, and faces with four equivalent CuHf4Cu4Ge4 cuboctahedra. All Hf–Cu bond lengths are 3.06 Å. There are four shorter (2.79 Å) and four longer (2.88 Å) Hf–Ge bond lengths. Cu is bonded to four equivalent Hf, four equivalent Cu, and four equivalent Ge atoms to form distorted CuHf4Cu4Ge4 cuboctahedra that share corners with four equivalent CuHf4Cu4Ge4 cuboctahedra, edges with eight equivalent HfCu4Ge8 cuboctahedra, faces with four equivalent HfCu4Ge8 cuboctahedra, and faces with eight equivalent CuHf4Cu4Ge4 cuboctahedra. All Cu–Cu bond lengths are 2.68 Å. All Cu–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first 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 2.68 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCuGe2 by Materials Project

LaCuGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Cu and ten Ge atoms. All La–Cu bond lengths are 3.33 Å. There are a spread of La–Ge bond distances ranging from 3.27–3.36 Å. Cu is bonded in a 9-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.42–2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent La, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiGe2 by Materials Project

ErNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Er–Ni bond lengths are 3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.09–3.21 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Er and five Ge atoms. There are one shorter (2.29 Å) and four longer (2.39 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Er, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YCoGe2 by Materials Project

YCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All Y–Co bond lengths are 3.22 Å. There are a spread of Y–Ge bond distances ranging from 3.08–3.23 Å. Co is bonded in a 5-coordinate geometry to four equivalent Y and five Ge atoms. There are one shorter (2.26 Å) and four longer (2.37 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Y, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCoGe2 by Materials Project

SmCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All Sm–Co bond lengths are 3.24 Å. There are a spread of Sm–Ge bond distances ranging from 3.15–3.30 Å. Co is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.27–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoFeGe2 by Materials Project

HoFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Ho–Fe bond lengths are 3.18 Å. There are a spread of Ho–Ge bond distances ranging from 3.11–3.27 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.26–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoCoGe2 by Materials Project

HoCoGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 10-coordinate geometry to four equivalent Co and ten Ge atoms. All Ho–Co bond lengths are 3.18 Å. There are a spread of Ho–Ge bond distances ranging from 3.10–3.26 Å. Co is bonded in a 5-coordinate geometry to four equivalent Ho and five Ge atoms. There are one shorter (2.26 Å) and four longer (2.37 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ho, one Co, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Cu3Ge by Materials Project

Mg2Cu3Ge is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, eight Cu, and four equivalent Ge atoms. There are two shorter (3.09 Å) and one longer (3.10 Å) Mg–Mg bond lengths. There are a spread of Mg–Cu bond distances ranging from 2.78–3.07 Å. There are two shorter (3.02 Å) and two longer (3.05 Å) Mg–Ge bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, ten Cu, and two equivalent Ge atoms. The Mg–Mg bond length is 2.85 Å. There are a spread of Mg–Cu bond distances ranging from 2.90–3.03 Å. Both Mg–Ge bond lengths are 3.02 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six Mg, two equivalent Cu, and four equivalent Ge atoms to form CuMg6Cu2Ge4 cuboctahedra that share corners with eighteen CuMg6Cu2Ge4 cuboctahedra, edges with six CuMg6Cu2Ge4 cuboctahedra, faces with eight equivalent GeMg6Cu4Ge2 cuboctahedra, and faces with ten CuMg6Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å. There are two shorter (2.49 Å) and two longer (2.58 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded to six Mg and six Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with six equivalent GeMg6Cu4Ge2 cuboctahedra, corners with twelve CuMg6Cu2Ge4 cuboctahedra, edges with two equivalent CuMg6Cu6 cuboctahedra, edges with four equivalent GeMg6Cu4Ge2 cuboctahedra, faces with two equivalent GeMg6Cu4Ge2 cuboctahedra, and faces with sixteen CuMg6Cu2Ge4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.61 Å. In the third Cu site, Cu is bonded to six Mg and six Cu atoms to form CuMg6Cu6 cuboctahedra that share corners with eight equivalent GeMg6Cu4Ge2 cuboctahedra, corners with ten CuMg6Cu2Ge4 cuboctahedra, edges with six CuMg6Cu2Ge4 cuboctahedra, faces with four equivalent GeMg6Cu4Ge2 cuboctahedra, and faces with fourteen CuMg6Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.51 Å. In the fourth Cu site, Cu is bonded to six Mg, four Cu, and two equivalent Ge atoms to form CuMg6Cu4Ge2 cuboctahedra that share corners with four equivalent GeMg6Cu4Ge2 cuboctahedra, corners with eight CuMg6Cu2Ge4 cuboctahedra, edges with six equivalent CuMg6Cu4Ge2 cuboctahedra, faces with six equivalent GeMg6Cu4Ge2 cuboctahedra, and faces with fourteen CuMg6Cu2Ge4 cuboctahedra. Both Cu–Ge bond lengths are 2.52 Å. Ge is bonded to six Mg, four Cu, and two equivalent Ge atoms to form distorted GeMg6Cu4Ge2 cuboctahedra that share corners with four equivalent GeMg6Cu4Ge2 cuboctahedra, corners with fourteen CuMg6Cu6 cuboctahedra, edges with two equivalent GeMg6Cu4Ge2 cuboctahedra, edges with four equivalent CuMg6Cu6 cuboctahedra, faces with four equivalent GeMg6Cu4Ge2 cuboctahedra, and faces with fourteen CuMg6Cu2Ge4 cuboctahedra. There are one shorter (2.55 Å) and one longer (2.59 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbFeGe2 by Materials Project

TbFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Fe and ten Ge atoms. All Tb–Fe bond lengths are 3.25 Å. There are a spread of Tb–Ge bond distances ranging from 3.10–3.22 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Tb and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.29–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tb, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba4Cd11Ge12 by Materials Project

Ba4Cd11Ge12 crystallizes in the cubic Pm-3n 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 eight equivalent Cd and twelve equivalent Ge atoms. All Ba–Cd bond lengths are 3.70 Å. All Ba–Ge bond lengths are 3.81 Å. In the second Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Cd and eight equivalent Ge atoms. All Ba–Cd bond lengths are 4.12 Å. All Ba–Ge bond lengths are 3.86 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to one Ba, one Cd, and three equivalent Ge atoms. The Cd–Cd bond length is 2.68 Å. All Cd–Ge bond lengths are 2.75 Å. In the second Cd site, Cd is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of edge and corner-sharing CdBa4Ge4 tetrahedra. All Cd–Ge bond lengths are 2.79 Å. Ge is bonded in a 4-coordinate geometry to three Ba, three Cd, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErFeGe2 by Materials Project

ErFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Er–Fe bond lengths are 3.18 Å. There are a spread of Er–Ge bond distances ranging from 3.11–3.29 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.26–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Er, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyNiGe2 by Materials Project

DyNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Dy–Ni bond lengths are 3.17 Å. There are a spread of Dy–Ge bond distances ranging from 3.09–3.20 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.29–2.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Dy, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.49 Å. In the second Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyFeGe2 by Materials Project

DyFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Fe and ten Ge atoms. All Dy–Fe bond lengths are 3.26 Å. There are a spread of Dy–Ge bond distances ranging from 3.10–3.22 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Dy and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.29–2.39 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Dy, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Fe atoms.

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