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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaGe3Ir by Materials Project

LaIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are one shorter (3.47 Å) and four longer (3.56 Å) La–Ir bond lengths. There are a spread of La–Ge bond distances ranging from 3.27–3.49 Å. Ir is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.48 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.76 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Ir, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Ge5Ir3 by Materials Project

La2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of La–Ir bond distances ranging from 3.22–3.56 Å. There are a spread of La–Ge bond distances ranging from 3.06–3.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent La and six Ge atoms. There are four shorter (2.56 Å) and two longer (2.76 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent La and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.71 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, three Ir, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGe2Ir3 by Materials Project

LaIr3Ge2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to twelve equivalent Ir and six equivalent Ge atoms. All La–Ir bond lengths are 3.44 Å. All La–Ge bond lengths are 3.29 Å. Ir is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGeIr by Materials Project

LaIrGe is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. In the second La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. In the third La site, La is bonded to six Ir and six Ge atoms to form a mixture of edge and face-sharing LaGe6Ir6 cuboctahedra. There are two shorter (3.22 Å) and four longer (3.31 Å) La–Ir bond lengths. There are two shorter (3.25 Å) and four longer (3.30 Å) La–Ge bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 3-coordinate geometry to six La and three equivalent Ge atoms. All Ir–La bond lengths are 3.31 Å. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. In the third Ir site, Ir is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Ir–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. Both Ge–La bond lengths are 3.25 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. In the third Ge site, Ge is bonded in a 3-coordinate geometry to six La and three Ir atoms. The Ge–Ir bond length is 2.45 Å.

36 MATERIALS SCIENCE↗