Materials Data on NbCoB2 by Materials Project
NbCoB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Nb–B bond distances ranging from 2.42–2.55 Å. Co1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Co–B bond distances ranging from 2.00–2.12 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Nb5+, two equivalent Co1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Nb5+, three equivalent Co1+, and two equivalent B3- atoms.
36 MATERIALS SCIENCE↗