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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyB2C by Materials Project

DyB2C crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to four equivalent C3- atoms. There are two shorter (2.60 Å) and two longer (2.62 Å) Dy–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. 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 C3- atom. The B–C bond length is 1.59 Å. C3- is bonded in a 7-coordinate geometry to four equivalent Dy3+ and three B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5B2C5 by Materials Project

Dy5B2C5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six C3- atoms to form DyC6 octahedra that share corners with two equivalent DyC6 octahedra, corners with eight equivalent DyC5 square pyramids, and edges with eight equivalent DyC5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of Dy–C bond distances ranging from 2.54–2.84 Å. In the second Dy3+ site, Dy3+ is bonded to five C3- atoms to form distorted DyC5 square pyramids that share corners with two equivalent DyC6 octahedra, corners with three equivalent DyC5 square pyramids, edges with two equivalent DyC6 octahedra, and edges with six equivalent DyC5 square pyramids. The corner-sharing octahedra tilt angles range from 3–91°. There are a spread of Dy–C bond distances ranging from 2.42–2.72 Å. B is bonded in a linear geometry to two equivalent C3- atoms. Both B–C bond lengths are 1.47 Å. There are two inequivalent C3- sites. In the first C3- site, C3- is bonded to five Dy3+ and one B atom to form a mixture of distorted edge and corner-sharing CDy5B octahedra. The corner-sharing octahedra tilt angles range from 5–87°. In the second C3- site, C3- is bonded to six Dy3+ atoms to form a mixture of edge and corner-sharing CDy6 octahedra. The corner-sharing octahedra tilt angles range from 0–87°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on Dy(BC)2 by Materials Project

DyB2C2 crystallizes in the tetragonal P4/mbm 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 2.69 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Dy 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 Dy and three equivalent B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2B4C by Materials Project

Dy2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.74 Å) and two longer (2.98 Å) Dy–B bond lengths. Both Dy–C bond lengths are 2.41 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Dy 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 single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.49 Å. C is bonded to four equivalent Dy and two equivalent B atoms to form distorted edge-sharing CDy4B2 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyBC by Materials Project

DyBC crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two DyBC sheets oriented in the (0, 1, 0) direction. Dy is bonded in a distorted square co-planar geometry to six equivalent B and four equivalent C atoms. There are four shorter (2.76 Å) and two longer (2.90 Å) Dy–B bond lengths. All Dy–C bond lengths are 2.45 Å. B is bonded in a single-bond geometry to six equivalent Dy and one C atom. The B–C bond length is 1.49 Å. C is bonded in a distorted single-bond geometry to four equivalent Dy and one B atom.

36 MATERIALS SCIENCE↗