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Title: Materials Data on MgH12(SO6)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1287360· OSTI ID:1287360

MgO6(H2)2(H2O)4(SO)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two dihydrogen molecules, two sulfur monoxide molecules, four water molecules, and one MgO6 cluster. In the MgO6 cluster, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. All Mg–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom. The O–O bond length is 1.40 Å. In the second O2- site, O2- is bonded in a water-like geometry to two O2- atoms. The O–O bond length is 1.36 Å. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mg2+ and one O2- atom.

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:
1287360
Report Number(s):
mp-721342
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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