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Materials Data on La(CoB)4 by Materials Project

La(CoB)4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of La–B bond distances ranging from 2.82–3.31 Å. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 2.00–2.52 Å. B3- is bonded in a 5-coordinate geometry to three equivalent La3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗

Materials Data on La(CoB)2 by Materials Project

LaCo2B2 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 B3- atoms. All La–B bond lengths are 3.07 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted corner and edge-sharing CoB4 tetrahedra. All Co–B bond lengths are 1.99 Å. B3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaFe6(CoB)6 by Materials Project

LaFe6(CoB)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to twelve equivalent Fe, six equivalent Co, and six equivalent B atoms. All La–Fe bond lengths are 3.27 Å. All La–Co bond lengths are 3.14 Å. All La–B bond lengths are 3.09 Å. Fe is bonded in a 4-coordinate geometry to two equivalent La and four equivalent B atoms. All Fe–B bond lengths are 2.06 Å. Co is bonded in a distorted T-shaped geometry to one La and three equivalent B atoms. There are one shorter (2.10 Å) and two longer (2.12 Å) Co–B bond lengths. B is bonded in a 7-coordinate geometry to one La, four equivalent Fe, and three equivalent Co atoms.

36 MATERIALS SCIENCE↗