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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on Er2B4C by Materials Project

Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 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 Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(BC)2 by Materials Project

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.

36 MATERIALS SCIENCE↗