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Materials Data on Tb(BC)2 by Materials Project

TbB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Tb–C bond lengths are 2.70 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.53 Å) and two longer (1.61 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Tb4+ and three equivalent B atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbB2C by Materials Project

TbB2C crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Tb4+ is bonded in a distorted see-saw-like geometry to four equivalent C4- atoms. There are two shorter (2.62 Å) and two longer (2.63 Å) Tb–C bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a distorted water-like geometry to one B and two equivalent C4- atoms. The B–B bond length is 1.76 Å. Both B–C bond lengths are 1.63 Å. In the second B site, B is bonded in a distorted single-bond geometry to one B and one C4- atom. The B–C bond length is 1.59 Å. C4- is bonded in a 7-coordinate geometry to four equivalent Tb4+ and three B atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb2B2C3 by Materials Project

Tb2B2C3 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two Tb2B2C3 sheets oriented in the (0, 1, 0) direction. Tb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Tb–C bond lengths are 2.56 Å. B3+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.54 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted single-bond geometry to four equivalent Tb3+, one B3+, and one C4- atom. The C–C bond length is 1.34 Å. In the second C4- site, C4- is bonded in a linear geometry to two equivalent C4- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb2B4C by Materials Project

Tb2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb4+ is bonded in a 2-coordinate geometry to six equivalent B+1.50- and two equivalent C2- atoms. There are four shorter (2.75 Å) and two longer (2.99 Å) Tb–B bond lengths. Both Tb–C bond lengths are 2.43 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to six equivalent Tb4+ and three B+1.50- atoms. There is one shorter (1.78 Å) and two longer (1.88 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a single-bond geometry to two equivalent B+1.50- and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded to four equivalent Tb4+ and two equivalent B+1.50- atoms to form distorted edge-sharing CTb4B2 octahedra.

36 MATERIALS SCIENCE↗