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

Title: Materials Data on MgMnB2O5 by Materials Project

Abstract

MgMnB2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.06–2.19 Å. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share edges with two equivalent MgO6 octahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.09–2.39 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 (1.44 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+more » atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Mn2+, and one B3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+, one Mn2+, and one B3+ atom to form distorted corner-sharing OMg2MnB tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two B3+ atoms.« less

Publication Date:
Other Number(s):
mp-1222009
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; MgMnB2O5; B-Mg-Mn-O
OSTI Identifier:
1655382
DOI:
https://doi.org/10.17188/1655382

Citation Formats

The Materials Project. Materials Data on MgMnB2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655382.
The Materials Project. Materials Data on MgMnB2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1655382
The Materials Project. 2020. "Materials Data on MgMnB2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1655382. https://www.osti.gov/servlets/purl/1655382. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1655382,
title = {Materials Data on MgMnB2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgMnB2O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share edges with two equivalent MnO6 octahedra and edges with four equivalent MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.06–2.19 Å. Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share edges with two equivalent MgO6 octahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 2.09–2.39 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 (1.44 Å) B–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mn2+ and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, two equivalent Mn2+, and one B3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+, one Mn2+, and one B3+ atom to form distorted corner-sharing OMg2MnB tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two B3+ atoms.},
doi = {10.17188/1655382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}