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Materials Data on RbB(CN)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1662944· OSTI ID:1662944

RbB(CN)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Rb1+ is bonded in a square co-planar geometry to four equivalent N3- atoms. There are two shorter (2.90 Å) and two longer (3.04 Å) Rb–N bond lengths. B3+ is bonded in a linear geometry to two equivalent C1+ atoms. Both B–C bond lengths are 1.44 Å. C1+ is bonded in a distorted linear geometry to one B3+ and one N3- atom. The C–N bond length is 1.20 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb1+ and one C1+ atom.

Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1662944
Report Number(s):
mp-1209706
Country of Publication:
United States
Language:
English

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