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Materials Data on TlB(CN)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1655302· OSTI ID:1655302

TlB(CN)2 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight TlB(CN)2 ribbons oriented in the (1, 0, 0) direction. Tl1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Tl–N bond lengths are 2.71 Å. 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 linear geometry to one B3+ and one N3- atom. The C–N bond length is 1.20 Å. N3- is bonded in a bent 120 degrees geometry to one Tl1+ 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:
1655302
Report Number(s):
mp-1208153
Country of Publication:
United States
Language:
English

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