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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoB2C by Materials Project

HoB2C crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Ho3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ho–C bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a distorted water-like geometry to two equivalent C3- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) B–C bond length. In the second B site, B is bonded in a distorted single-bond geometry to one C3- atom. The B–C bond length is 1.59 Å. C3- is bonded in a 7-coordinate geometry to four equivalent Ho3+ and three B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho(BC)2 by Materials Project

HoB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Ho–B bond lengths are 2.73 Å. All Ho–C bond lengths are 2.67 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Ho and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.60 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Ho and three equivalent B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoBC by Materials Project

HoBC crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four HoBC sheets oriented in the (0, 1, 0) direction. Ho is bonded in a distorted square co-planar geometry to four equivalent C atoms. All Ho–C bond lengths are 2.44 Å. B is bonded in a single-bond geometry to one C atom. The B–C bond length is 1.49 Å. C is bonded in a distorted single-bond geometry to four equivalent Ho and one B atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2B4C by Materials Project

Ho2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ho is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.72 Å) and two longer (2.97 Å) Ho–B bond lengths. Both Ho–C bond lengths are 2.40 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Ho and three B atoms. There is one shorter (1.77 Å) and two longer (1.87 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Ho and two equivalent B atoms to form distorted edge-sharing CHo4B2 octahedra.

36 MATERIALS SCIENCE↗