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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaCo5 by Materials Project

LaCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.90 Å) and twelve longer (3.20 Å) La–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded to four equivalent La and eight Co atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. All Co–Co bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCo13 by Materials Project

LaCo13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to twenty-four equivalent Co atoms. All La–Co bond lengths are 3.29 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to twelve equivalent Co atoms to form a mixture of corner and face-sharing CoCo12 cuboctahedra. All Co–Co bond lengths are 2.40 Å. In the second Co site, Co is bonded to two equivalent La and ten Co atoms to form distorted CoLa2Co10 cuboctahedra that share corners with twenty-eight CoCo12 cuboctahedra, edges with eight equivalent CoLa2Co10 cuboctahedra, and faces with twenty-five CoCo12 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCo2 by Materials Project

LaCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All La–Co bond lengths are 3.05 Å. Co is bonded to six equivalent La and six equivalent Co atoms to form a mixture of edge, face, and corner-sharing CoLa6Co6 cuboctahedra. All Co–Co bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Co3 by Materials Project

La2Co3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight Co atoms. There are a spread of La–Co bond distances ranging from 2.94–3.20 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to six equivalent La and four Co atoms. There are two shorter (2.40 Å) and two longer (2.45 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCo5 by Materials Project

LaCo5 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. La is bonded in a 2-coordinate geometry to eighteen Co atoms. There are a spread of La–Co bond distances ranging from 2.76–3.25 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to four equivalent La and eight Co atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.52 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 1-coordinate geometry to three equivalent La and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.46–2.84 Å. In the third Co site, Co is bonded to four equivalent La and eight Co atoms to form a mixture of edge, face, and corner-sharing CoLa4Co8 cuboctahedra. Both Co–Co bond lengths are 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Co by Materials Project

La3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a distorted water-like geometry to two equivalent Co atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) La–Co bond lengths. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.70 Å) and one longer (2.97 Å) La–Co bond lengths. Co is bonded in a 6-coordinate geometry to six La atoms.

36 MATERIALS SCIENCE↗