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Title: Materials Data on Mn2Hg5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205079· OSTI ID:1205079

Mn2Hg5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mn is bonded to two equivalent Mn and ten Hg atoms to form a mixture of distorted corner, edge, and face-sharing MnMn2Hg10 cuboctahedra. Both Mn–Mn bond lengths are 3.02 Å. There are six shorter (2.97 Å) and four longer (3.10 Å) Mn–Hg bond lengths. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to four equivalent Mn and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.29 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to four equivalent Mn and six Hg atoms. Both Hg–Hg bond lengths are 3.02 Å.

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:
1205079
Report Number(s):
mp-30720
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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