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Title: Materials Data on UMnO4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193997· OSTI ID:1193997

MnUO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with eight equivalent MnO6 octahedra and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are a spread of U–O bond distances ranging from 1.98–2.18 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight equivalent UO6 octahedra and edges with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There are two shorter (2.15 Å) and four longer (2.24 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent U6+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+ and two equivalent Mn2+ atoms.

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:
1193997
Report Number(s):
mp-19173
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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