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Li(BC)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Li(BC)2 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six equivalent C+3.50- atoms. All Li–C bond lengths are 2.33 Å. B3+ is bonded in a trigonal planar geometry to three equivalent C+3.50- atoms. All B–C bond lengths are 1.57 Å. C+3.50- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and three equivalent B3+ atoms.
Lu(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Lu–B bond lengths are 2.69 Å. All Lu–C bond lengths are 2.66 Å. B is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.
Tm(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Tm–B bond lengths are 2.70 Å. All Tm–C bond lengths are 2.67 Å. B is bonded in a 2-coordinate geometry to four equivalent Tm and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Tm, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.
Yb(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Yb–C bond lengths are 2.74 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Yb2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.
Tm(BC)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Tm–B bond lengths are 2.71 Å. All Tm–C bond lengths are 2.65 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Tm 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 Tm and three equivalent B atoms.
Lu(BC)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Lu–B bond lengths are 2.69 Å. All Lu–C bond lengths are 2.63 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Lu and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.59 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Lu and three equivalent B atoms.
Ce 4 B 2 C 2 H 2.42 was grown as large crystals from a cerium/copper eutectic flux. The structure was characterized by single-crystal X-ray and neutron diffraction and was found to be a stuffed variant of Nd 2 BC with the addition of two interstitial hydrogen positions. The tetrahedral hydrogen position is fully occupied, while the octahedral position has an occupancy of 42(3)%. Initial synthesis was due to hydrogen contamination of the cerium metal but has been successfully repeated using anthracene as a carbon and hydrogen source. Density of states calculations suggest that the incorporation of hydrogen stabilizes the compound with respect to the nonhydrided model. Magnetic susceptibility data show a complex magnetic ordering at 7.7 K that originates from the localized electron on the Ce 3+ in the structure. The trivalent state is also supported by X-ray photoelectron spectroscopy measurements. Heat capacity and electrical resistivity data show that the phase transition is broad in temperature, which may be due to structural disorder. Furthermore, the large low temperature value of C/T also indicates possible heavy fermion behavior.
CaB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Ca–C bond lengths are 2.78 Å. B3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Ca2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.
ScB2C2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc2+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Sc–C bond distances ranging from 2.43–2.53 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of B–C bond distances ranging from 1.55–1.64 Å. In the second B3+ site, B3+ is bonded in a water-like geometry to two C4- atoms. There is one shorter (1.55 Å) and one longer (1.62 Å) B–C bond length. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 3-coordinate geometry to four equivalent Sc2+ and three B3+ atoms. In the second C4- site, C4- is bonded in a 2-coordinate geometry to two equivalent Sc2+, two B3+, and one C4- atom. The C–C bond length is 1.45 Å.
YB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Y–B bond lengths are 2.75 Å. All Y–C bond lengths are 2.72 Å. B is bonded in a 2-coordinate geometry to four equivalent Y and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent B, and one C atom. The C–C bond length is 1.43 Å.
DyB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Dy–B bond lengths are 2.74 Å. All Dy–C bond lengths are 2.71 Å. B is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent C atoms. Both B–C bond lengths are 1.61 Å. C is bonded in a 2-coordinate geometry to four equivalent Dy, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.
LaB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. La2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All La–C bond lengths are 2.86 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.62 Å. C4- is bonded in a 2-coordinate geometry to four equivalent La2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.43 Å.
ErB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Er–B bond lengths are 2.72 Å. All Er–C bond lengths are 2.69 Å. B is bonded in a 2-coordinate geometry to four equivalent Er and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.
PrB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.83 Å. B is bonded in a 2-coordinate geometry to one B and two equivalent C2- atoms. The B–B bond length is 1.66 Å. Both B–C bond lengths are 1.62 Å. C2- is bonded in a 2-coordinate geometry to four equivalent Pr4+, two equivalent B, and one C2- atom. The C–C bond length is 1.43 Å.
NdB2C2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Nd2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Nd–C bond lengths are 2.80 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.62 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Nd2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.43 Å.
HoB2C2 crystallizes in the tetragonal P4_2/mmc 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 2.70 Å. B is bonded in a 2-coordinate geometry to four equivalent Ho and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Ho, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.