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Title: Materials Data on MnCoB2O5 by Materials Project

Abstract

MnCoB2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with two equivalent CoO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.08–2.39 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+, one Co2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and twomore » B3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Co2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mn2+, two equivalent Co2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one B3+ atom.« less

Publication Date:
Other Number(s):
mp-1221788
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; MnCoB2O5; B-Co-Mn-O
OSTI Identifier:
1694576
DOI:
https://doi.org/10.17188/1694576

Citation Formats

The Materials Project. Materials Data on MnCoB2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694576.
The Materials Project. Materials Data on MnCoB2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1694576
The Materials Project. 2020. "Materials Data on MnCoB2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1694576. https://www.osti.gov/servlets/purl/1694576. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1694576,
title = {Materials Data on MnCoB2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCoB2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with two equivalent CoO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.08–2.39 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.42 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.43 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+, one Co2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two B3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Co2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Mn2+, two equivalent Co2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one B3+ atom.},
doi = {10.17188/1694576},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}