DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mn2Bi3O7 by Materials Project

Abstract

Mn2Bi3O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–20°. There are a spread of Mn–O bond distances ranging from 2.02–2.35 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Mn+2.50+ and three equivalent Bi3+ atoms to form distorted corner-sharing OMnBi3 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mn+2.50+ and three Bi3+more » atoms.« less

Publication Date:
Other Number(s):
mp-1190266
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn2Bi3O7; Bi-Mn-O
OSTI Identifier:
1652737
DOI:
https://doi.org/10.17188/1652737

Citation Formats

The Materials Project. Materials Data on Mn2Bi3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652737.
The Materials Project. Materials Data on Mn2Bi3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1652737
The Materials Project. 2020. "Materials Data on Mn2Bi3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1652737. https://www.osti.gov/servlets/purl/1652737. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1652737,
title = {Materials Data on Mn2Bi3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2Bi3O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–20°. There are a spread of Mn–O bond distances ranging from 2.02–2.35 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Mn+2.50+ and three equivalent Bi3+ atoms to form distorted corner-sharing OMnBi3 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mn+2.50+ and three Bi3+ atoms.},
doi = {10.17188/1652737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}