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Materials Data on HgBrN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1708498· OSTI ID:1708498
HgNBr crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent N1- and four equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr4N2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Hg–N bond lengths are 2.11 Å. All Hg–Br bond lengths are 3.10 Å. N1- is bonded in a linear geometry to two equivalent Hg2+ atoms. Br1- is bonded in a square co-planar geometry to four equivalent Hg2+ atoms.
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:
1708498
Report Number(s):
mp-1223896
Country of Publication:
United States
Language:
English

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