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Title: Materials Data on Mn3SbO8 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1304240· OSTI ID:1304240

Mn3SbO8 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Mn3SbO8 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Mn+3.67+ sites. In the first Mn+3.67+ site, Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent SbO6 octahedra and edges with four MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.96–2.02 Å. In the second Mn+3.67+ site, Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent SbO6 octahedra and edges with four equivalent MnO6 octahedra. There is two shorter (1.96 Å) and four longer (2.03 Å) Mn–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share edges with six MnO6 octahedra. There are four shorter (2.01 Å) and two longer (2.02 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Mn+3.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Mn+3.67+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn+3.67+ and one Sb5+ 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:
1304240
Report Number(s):
mp-776354
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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