Materials Data on Dy3B7Mo by Materials Project
Dy3MoB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 10-coordinate geometry to eleven B+2.14- atoms. There are a spread of Dy–B bond distances ranging from 2.64–3.41 Å. In the second Dy3+ site, Dy3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Dy–B bond distances ranging from 2.65–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mo–B bond distances ranging from 2.33–2.38 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Dy3+, two equivalent Mo6+, and three B+2.14- atoms. There are a spread of B–B bond distances ranging from 1.81–1.91 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Dy3+ and three B+2.14- atoms. There is one shorter (1.84 Å) and two longer (1.98 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Dy3+, two equivalent Mo6+, and three B+2.14- atoms. The B–B bond length is 1.95 Å. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Dy3+, two equivalent Mo6+, and two equivalent B+2.14- atoms.