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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La(CuGe)2 by Materials Project

LaCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All La–Cu bond lengths are 3.32 Å. All La–Ge bond lengths are 3.25 Å. Cu is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CuGe6 by Materials Project

La2CuGe6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of La–Ge bond distances ranging from 3.16–3.36 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All La–Cu bond lengths are 3.23 Å. There are a spread of La–Ge bond distances ranging from 3.19–3.37 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 2.42–2.45 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Cu, and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.97 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent La and five Ge atoms. All Ge–Ge bond lengths are 2.97 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six La and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six La, one Cu, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent La and five Ge atoms. The Ge–Ge bond length is 2.49 Å. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Cu, and five Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCuGe by Materials Project

LaCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing LaCu6Ge6 cuboctahedra. All La–Cu bond lengths are 3.24 Å. All La–Ge bond lengths are 3.24 Å. Cu is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.46 Å. Ge is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5CuGe3 by Materials Project

La5CuGe3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Ge atoms. Both La–Cu bond lengths are 3.03 Å. There are a spread of La–Ge bond distances ranging from 3.15–3.54 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All La–Ge bond lengths are 3.36 Å. Cu is bonded to six equivalent La atoms to form face-sharing CuLa6 octahedra. Ge is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La15CuGe9 by Materials Project

La15CuGe9 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded to six Ge atoms to form a mixture of distorted corner, edge, and face-sharing LaGe6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of La–Ge bond distances ranging from 3.22–3.38 Å. In the second La site, La is bonded in a 6-coordinate geometry to one Cu and five Ge atoms. The La–Cu bond length is 2.90 Å. There are a spread of La–Ge bond distances ranging from 3.15–3.76 Å. In the third La site, La is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of La–Ge bond distances ranging from 3.12–3.32 Å. In the fourth La site, La is bonded in a 5-coordinate geometry to one Cu and four Ge atoms. The La–Cu bond length is 2.93 Å. There are a spread of La–Ge bond distances ranging from 3.13–3.29 Å. Cu is bonded in an octahedral geometry to six La atoms. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight La atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CuGe by Materials Project

La2CuGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two La2CuGe ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to one Cu and one Ge atom. The La–Cu bond length is 2.64 Å. The La–Ge bond length is 2.71 Å. Cu is bonded in a linear geometry to two equivalent La atoms. Ge is bonded in a linear geometry to two equivalent La 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↗