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Title: Materials Data on Na2HgO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1208516· OSTI ID:1208516

Na2HgO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing NaO5 square pyramids. There are one shorter (2.36 Å) and four longer (2.48 Å) Na–O bond lengths. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.01 Å. O2- is bonded to five equivalent Na1+ and one Hg2+ atom to form a mixture of corner and edge-sharing ONa5Hg octahedra. The corner-sharing octahedra tilt angles range from 0–17°.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1208516
Report Number(s):
mp-4961
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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