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At least 37 records · Page 2

Materials Data on Tm(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Eu(BC)2 by Materials Project

Eu(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Eu–C bond lengths are 2.82 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.61 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Eu2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.41 Å.

36 MATERIALS SCIENCE↗

Materials Data on Yb(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Mn23(BC)3 by Materials Project

Mn23(BC)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn and three equivalent B atoms. The Mn–Mn bond length is 2.36 Å. All Mn–B bond lengths are 2.10 Å. In the second Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn, one B, and two equivalent C atoms. The Mn–Mn bond length is 2.38 Å. The Mn–B bond length is 2.12 Å. Both Mn–C bond lengths are 2.06 Å. In the third Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn and three equivalent C atoms. The Mn–Mn bond length is 2.37 Å. All Mn–C bond lengths are 2.07 Å. In the fourth Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn, two equivalent B, and one C atom. The Mn–Mn bond length is 2.38 Å. Both Mn–B bond lengths are 2.11 Å. The Mn–C bond length is 2.04 Å. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn and two equivalent B atoms. The Mn–Mn bond length is 2.46 Å. Both Mn–B bond lengths are 2.10 Å. In the sixth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn, one B, and one C atom. The Mn–Mn bond length is 2.53 Å. The Mn–B bond length is 2.10 Å. The Mn–C bond length is 2.08 Å. In the seventh Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn and two equivalent C atoms. The Mn–Mn bond length is 2.58 Å. Both Mn–C bond lengths are 2.09 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to twelve Mn and three equivalent B atoms. All Mn–B bond lengths are 2.77 Å. In the ninth Mn site, Mn is bonded in a distorted tetrahedral geometry to four Mn atoms. In the tenth Mn site, Mn is bonded in a distorted tetrahedral geometry to four Mn atoms. B is bonded in a 8-coordinate geometry to nine Mn atoms. C is bonded in a 8-coordinate geometry to eight Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Fe23(BC)3 by Materials Project

Fe23(BC)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are ten inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. The Fe–Fe bond length is 2.51 Å. Both Fe–B bond lengths are 2.12 Å. In the second Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Fe, one B, and one C atom. The Fe–Fe bond length is 2.54 Å. The Fe–B bond length is 2.12 Å. The Fe–C bond length is 2.11 Å. In the third Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent C atoms. The Fe–Fe bond length is 2.57 Å. Both Fe–C bond lengths are 2.11 Å. In the fourth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe and three equivalent B atoms. The Fe–Fe bond length is 2.40 Å. All Fe–B bond lengths are 2.09 Å. In the fifth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe, one B, and two equivalent C atoms. The Fe–Fe bond length is 2.42 Å. The Fe–B bond length is 2.11 Å. Both Fe–C bond lengths are 2.05 Å. In the sixth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe and three equivalent C atoms. The Fe–Fe bond length is 2.43 Å. All Fe–C bond lengths are 2.06 Å. In the seventh Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe, two equivalent B, and one C atom. The Fe–Fe bond length is 2.41 Å. Both Fe–B bond lengths are 2.10 Å. The Fe–C bond length is 2.04 Å. In the eighth Fe site, Fe is bonded in a distorted cuboctahedral geometry to twelve Fe atoms. In the ninth Fe site, Fe is bonded in a distorted tetrahedral geometry to four Fe atoms. In the tenth Fe site, Fe is bonded in a distorted tetrahedral geometry to four Fe atoms. B is bonded in a 8-coordinate geometry to eight Fe atoms. C is bonded in a 8-coordinate geometry to eight Fe atoms.

36 MATERIALS SCIENCE↗

Unexpected Hydride: Ce 4 B 2 C 2 H 2.42 , a Stuffed Variant of the Nd 2 BC Structure Type

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.

36 MATERIALS SCIENCE↗

Halide-free synthesis of metastable graphitic BC 3

A halide-free route to the synthesis of graphitic BC 3 was discovered via decomposition temperature matching: benzene (C 6 H 6 ) as the carbon precursor and the borohydride anion (BH 4 − ) as the boron precursor.

08 HYDROGEN↗

Intensive aerosol properties of boreal and regional biomass burning aerosol at Mt. Bachelor Observatory: larger and black carbon (BC)-dominant particles transported from Siberian wildfires

We characterize the aerosol physical and optical properties of 13 transported biomass burning (BB) events. BB events included long-range influence from fires in Alaskan and Siberian boreal forests transported to Mt. Bachelor Observatory (MBO) in the free troposphere (FT) over 8–14+ d and regional wildfires in northern California and southwestern Oregon transported to MBO in the boundary layer (BL) over 10 h to 3 d. Intensive aerosol optical properties and normalized enhancement ratios for BB events were derived from measured aerosol light scattering coefficients (σ scat ), aerosol light-absorbing coefficients (σ abs ), fine particulate matter (PM 1 ), and carbon monoxide (CO) measurements made from July to September 2019, with particle size distribution collected from August to September. The observations showed that the Siberian BB events had a lower scattering Ångström exponent (SAE), a higher mass scattering efficiency (MSE; Δσ scat /ΔPM 1 ), and a bimodal aerosol size distribution with a higher geometric mean diameter (D g ). We hypothesize that the larger particles and associated scattering properties were due to the transport of fine dust alongside smoke in addition to contributions from condensation of secondary aerosol, coagulation of smaller particles, and aqueous-phase processing during transport. Alaskan and Siberian boreal forest BB plumes were transported long distances in the FT and characterized by lower absorption Ångström exponent (AAE) values indicative of black carbon (BC) dominance in the radiative budget. Significantly elevated AAE values were only observed for BB events with <1 d transport, which suggests strong production of brown carbon (BrC) in these plumes but limited radiative forcing impacts outside of the immediate region.

54 ENVIRONMENTAL SCIENCES↗

Materials Data on Ca(BC)2 by Materials Project

CaB2C2 crystallizes in the tetragonal I4/mcm 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 2.74 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.53 Å) and two longer (1.60 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on La(BC)2 by Materials Project

LaB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent C4- atoms. All La–C bond lengths are 2.84 Å. B3+ is bonded in a distorted trigonal planar geometry to three equivalent C4- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C4- is bonded in a 3-coordinate geometry to four equivalent La2+ and three equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr(BC)2 by Materials Project

PrB2C2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight equivalent C2- atoms. All Pr–C bond lengths are 2.81 Å. B is bonded in a distorted trigonal planar geometry to three equivalent C2- atoms. There is one shorter (1.54 Å) and two longer (1.62 Å) B–C bond length. C2- is bonded in a 3-coordinate geometry to four equivalent Pr4+ and three equivalent B atoms.

36 MATERIALS SCIENCE↗

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 Er(BC)2 by Materials Project

ErB2C2 crystallizes in the tetragonal P4/mbm 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 2.66 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Er 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 Er and three equivalent B atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ca(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Y(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗

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↗

Materials Data on Dy(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗