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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La(CoSi)2 by Materials Project

LaCo2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.14 Å. Co+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.30 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent La3+, four equivalent Co+2.50+, and one Si4- atom. The Si–Si bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCo9Si4 by Materials Project

LaCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All La–Si bond lengths are 3.25 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.47 Å) and two longer (2.53 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.32–2.43 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.32 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent La3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCoSi by Materials Project

LaCoSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one LaCoSi sheet oriented in the (0, 0, 1) direction. La3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All La–Si bond lengths are 3.07 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.33 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCo8Si5 by Materials Project

LaCo8Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight equivalent Si+2.40- atoms. All La–Si bond lengths are 3.20 Å. There are two inequivalent Co+1.12+ sites. In the first Co+1.12+ site, Co+1.12+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.30–2.47 Å. In the second Co+1.12+ site, Co+1.12+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.50 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to two equivalent La3+, eight Co+1.12+, and one Si+2.40- atom. The Si–Si bond length is 2.47 Å. In the second Si+2.40- site, Si+2.40- is bonded in a cuboctahedral geometry to eight Co+1.12+ and four equivalent Si+2.40- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCoSi3 by Materials Project

LaCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La3+ is bonded to twelve Si+1.33- atoms to form a mixture of edge, face, and corner-sharing LaSi12 cuboctahedra. There are a spread of La–Si bond distances ranging from 3.05–3.25 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.29 Å) and four longer (2.30 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent La3+, one Co1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.63 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four equivalent La3+, two equivalent Co1+, and two equivalent Si+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2CoSi3 by Materials Project

La2CoSi3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to three equivalent Co and nine Si atoms to form a mixture of edge and face-sharing LaCo3Si9 cuboctahedra. All La–Co bond lengths are 3.17 Å. There are three shorter (3.17 Å) and six longer (3.25 Å) La–Si bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Co–Si bond lengths are 2.35 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms. All Si–Si bond lengths are 2.35 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Co atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCoSi2 by Materials Project

LaCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Co and ten Si atoms. All La–Co bond lengths are 3.21 Å. There are a spread of La–Si bond distances ranging from 3.14–3.27 Å. Co is bonded in a 9-coordinate geometry to four equivalent La and five Si atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent La, one Co, and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Co atoms.

36 MATERIALS SCIENCE↗