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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Eu3(Ga2Ge3)2 by Materials Project

Eu3(Ga2Ge3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in a 1-coordinate geometry to seven Ga and eight Ge atoms. There are a spread of Eu–Ga bond distances ranging from 3.25–3.83 Å. There are a spread of Eu–Ge bond distances ranging from 2.97–3.61 Å. In the second Eu site, Eu is bonded in a 10-coordinate geometry to five Ga and eight Ge atoms. There are a spread of Eu–Ga bond distances ranging from 3.01–3.56 Å. There are a spread of Eu–Ge bond distances ranging from 3.18–3.64 Å. In the third Eu site, Eu is bonded in a 6-coordinate geometry to six Ga and eight Ge atoms. There are a spread of Eu–Ga bond distances ranging from 3.29–3.59 Å. There are a spread of Eu–Ge bond distances ranging from 3.03–3.67 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three Eu and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.50–2.63 Å. In the second Ga site, Ga is bonded to five Eu and four Ge atoms to form a mixture of distorted face and edge-sharing GaEu5Ge4 tetrahedra. There are one shorter (2.57 Å) and three longer (2.59 Å) Ga–Ge bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to five Eu and four Ge atoms. There are three shorter (2.58 Å) and one longer (2.61 Å) Ga–Ge bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to five Eu and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.58–2.69 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four Eu, two equivalent Ga, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Eu and four Ga atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Eu, three Ga, and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Eu, two Ga, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the fifth Ge site, Ge is bonded in a 3-coordinate geometry to three Eu, three Ga, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Eu, two Ga, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(GaGe2)2 by Materials Project

EuGa2Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to four equivalent Ga and ten Ge atoms. All Eu–Ga bond lengths are 3.41 Å. There are a spread of Eu–Ge bond distances ranging from 3.42–3.58 Å. Ga is bonded in a 6-coordinate geometry to two equivalent Eu, two equivalent Ga, and two Ge atoms. Both Ga–Ga bond lengths are 2.47 Å. There are one shorter (2.53 Å) and one longer (2.54 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to three equivalent Eu, one Ga, and three Ge atoms. There are one shorter (2.52 Å) and two longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Eu, one Ga, and three Ge atoms. The Ge–Ge bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(GaGe2)2 by Materials Project

EuGa2Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to six equivalent Ga and eight Ge atoms. There are two shorter (3.25 Å) and four longer (3.58 Å) Eu–Ga bond lengths. There are four shorter (3.44 Å) and four longer (3.60 Å) Eu–Ge bond lengths. Ga is bonded in a 7-coordinate geometry to three equivalent Eu, one Ga, and three Ge atoms. The Ga–Ga bond length is 2.49 Å. There are one shorter (2.50 Å) and two longer (2.53 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Ga, and two Ge atoms. Both Ge–Ge bond lengths are 2.53 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Eu, one Ga, and three Ge atoms. Both Ge–Ge bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(GaGe2)2 by Materials Project

EuGa2Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to four equivalent Ga and ten Ge atoms. All Eu–Ga bond lengths are 3.66 Å. There are a spread of Eu–Ge bond distances ranging from 3.38–3.54 Å. Ga is bonded in a 4-coordinate geometry to two equivalent Eu, one Ga, and three Ge atoms. The Ga–Ga bond length is 2.51 Å. There are two shorter (2.50 Å) and one longer (2.53 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Eu, two equivalent Ga, and two Ge atoms. There are one shorter (2.54 Å) and one longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Eu, one Ga, and three Ge atoms. Both Ge–Ge bond lengths are 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGaGe by Materials Project

EuGaGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six equivalent Ge atoms to form distorted edge-sharing EuGe6 octahedra. All Eu–Ge bond lengths are 3.19 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to six equivalent Ga and six equivalent Ge atoms. All Eu–Ga bond lengths are 3.08 Å. All Eu–Ge bond lengths are 3.49 Å. Ga is bonded in a 6-coordinate geometry to three equivalent Eu and three equivalent Ge atoms. All Ga–Ge bond lengths are 2.56 Å. Ge is bonded in a 6-coordinate geometry to six Eu and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗