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Materials Data on DyB2Os by Materials Project

DyOsB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Dy–B bond distances ranging from 2.62–2.93 Å. Os3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are two shorter (2.25 Å) and four longer (2.27 Å) Os–B bond lengths. B3- is bonded in a 9-coordinate geometry to four equivalent Dy3+, three equivalent Os3+, and two equivalent B3- atoms. There is one shorter (1.79 Å) and one longer (1.90 Å) B–B bond length.

36 MATERIALS SCIENCE↗

Materials Data on DyB4Os by Materials Project

DyOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Dy3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Dy–B bond distances ranging from 2.65–2.77 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.26–2.42 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.77 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Dy3+, four equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.75 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Os3+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Dy2B6Os by Materials Project

Dy2OsB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 6-coordinate geometry to fourteen B2- atoms. There are a spread of Dy–B bond distances ranging from 2.73–2.82 Å. In the second Dy3+ site, Dy3+ is bonded to twelve B2- atoms to form a mixture of edge and face-sharing DyB12 cuboctahedra. There are four shorter (2.61 Å) and eight longer (2.63 Å) Dy–B bond lengths. Os6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Os–B bond distances ranging from 2.35–2.41 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Os6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.84 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Os6+, and three B2- atoms. Both B–B bond lengths are 1.81 Å. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Os6+, and three B2- atoms. There is one shorter (1.73 Å) and one longer (1.88 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Os6+, and three B2- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Os6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 9-coordinate geometry to six Dy3+ and three B2- atoms. The B–B bond length is 2.16 Å.

36 MATERIALS SCIENCE↗